Details of the Target

General Information of Target

Target ID LDTP05254
Target Name Nuclear factor NF-kappa-B p100 subunit (NFKB2)
Gene Name NFKB2
Gene ID 4791
Synonyms
LYT10; Nuclear factor NF-kappa-B p100 subunit; DNA-binding factor KBF2; H2TF1; Lymphocyte translocation chromosome 10 protein; Nuclear factor of kappa light polypeptide gene enhancer in B-cells 2; Oncogene Lyt-10; Lyt10) [Cleaved into: Nuclear factor NF-kappa-B p52 subunit]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MESCYNPGLDGIIEYDDFKLNSSIVEPKEPAPETADGPYLVIVEQPKQRGFRFRYGCEGP
SHGGLPGASSEKGRKTYPTVKICNYEGPAKIEVDLVTHSDPPRAHAHSLVGKQCSELGIC
AVSVGPKDMTAQFNNLGVLHVTKKNMMGTMIQKLQRQRLRSRPQGLTEAEQRELEQEAKE
LKKVMDLSIVRLRFSAFLRASDGSFSLPLKPVISQPIHDSKSPGASNLKISRMDKTAGSV
RGGDEVYLLCDKVQKDDIEVRFYEDDENGWQAFGDFSPTDVHKQYAIVFRTPPYHKMKIE
RPVTVFLQLKRKRGGDVSDSKQFTYYPLVEDKEEVQRKRRKALPTFSQPFGGGSHMGGGS
GGAAGGYGGAGGGGSLGFFPSSLAYSPYQSGAGPMGCYPGGGGGAQMAATVPSRDSGEEA
AEPSAPSRTPQCEPQAPEMLQRAREYNARLFGLAQRSARALLDYGVTADARALLAGQRHL
LTAQDENGDTPLHLAIIHGQTSVIEQIVYVIHHAQDLGVVNLTNHLHQTPLHLAVITGQT
SVVSFLLRVGADPALLDRHGDSAMHLALRAGAGAPELLRALLQSGAPAVPQLLHMPDFEG
LYPVHLAVRARSPECLDLLVDSGAEVEATERQGGRTALHLATEMEELGLVTHLVTKLRAN
VNARTFAGNTPLHLAAGLGYPTLTRLLLKAGADIHAENEEPLCPLPSPPTSDSDSDSEGP
EKDTRSSFRGHTPLDLTCSTKVKTLLLNAAQNTMEPPLTPPSPAGPGLSLGDTALQNLEQ
LLDGPEAQGSWAELAERLGLRSLVDTYRQTTSPSGSLLRSYELAGGDLAGLLEALSDMGL
EEGVRLLRGPETRDKLPSTAEVKEDSAYGSQSVEQEAEKLGPPPEPPGGLCHGHPQPQVH
Target Type
Clinical trial
Target Bioclass
Transcription factor
Subcellular location
Nucleus
Function
NF-kappa-B is a pleiotropic transcription factor present in almost all cell types and is the endpoint of a series of signal transduction events that are initiated by a vast array of stimuli related to many biological processes such as inflammation, immunity, differentiation, cell growth, tumorigenesis and apoptosis. NF-kappa-B is a homo- or heterodimeric complex formed by the Rel-like domain-containing proteins RELA/p65, RELB, NFKB1/p105, NFKB1/p50, REL and NFKB2/p52. The dimers bind at kappa-B sites in the DNA of their target genes and the individual dimers have distinct preferences for different kappa-B sites that they can bind with distinguishable affinity and specificity. Different dimer combinations act as transcriptional activators or repressors, respectively. NF-kappa-B is controlled by various mechanisms of post-translational modification and subcellular compartmentalization as well as by interactions with other cofactors or corepressors. NF-kappa-B complexes are held in the cytoplasm in an inactive state complexed with members of the NF-kappa-B inhibitor (I-kappa-B) family. In a conventional activation pathway, I-kappa-B is phosphorylated by I-kappa-B kinases (IKKs) in response to different activators, subsequently degraded thus liberating the active NF-kappa-B complex which translocates to the nucleus. In a non-canonical activation pathway, the MAP3K14-activated CHUK/IKKA homodimer phosphorylates NFKB2/p100 associated with RelB, inducing its proteolytic processing to NFKB2/p52 and the formation of NF-kappa-B RelB-p52 complexes. The NF-kappa-B heterodimeric RelB-p52 complex is a transcriptional activator. The NF-kappa-B p52-p52 homodimer is a transcriptional repressor. NFKB2 appears to have dual functions such as cytoplasmic retention of attached NF-kappa-B proteins by p100 and generation of p52 by a cotranslational processing. The proteasome-mediated process ensures the production of both p52 and p100 and preserves their independent function. p52 binds to the kappa-B consensus sequence 5'-GGRNNYYCC-3', located in the enhancer region of genes involved in immune response and acute phase reactions. p52 and p100 are respectively the minor and major form; the processing of p100 being relatively poor. Isoform p49 is a subunit of the NF-kappa-B protein complex, which stimulates the HIV enhancer in synergy with p65. In concert with RELB, regulates the circadian clock by repressing the transcriptional activator activity of the CLOCK-BMAL1 heterodimer.
TTD ID
T00238
Uniprot ID
Q00653
DrugMap ID
TTKLNRV
Ensemble ID
ENST00000189444.11
HGNC ID
HGNC:7795
ChEMBL ID
CHEMBL3003

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
COLO678 SNV: p.Y5Ter DBIA    Probe Info 
MFE319 SNV: p.Y15C DBIA    Probe Info 
SNU1 SNV: p.M185I DBIA    Probe Info 
SW1271 SNV: p.R191P DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 27 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
CY-1
 Probe Info  		100.00  LDD0243  [2]
STPyne
 Probe Info  		K47(0.73)  LDD0277  [3]
BTD
 Probe Info  		C83(3.48)  LDD1699  [4]
Probe 1
 Probe Info  		Y39(11.09); Y77(16.38)  LDD3495  [5]
Sulforaphane-probe2
 Probe Info  		2.17  LDD0160  [6]
DA-P3
 Probe Info  		10.41  LDD0180  [7]
AHL-Pu-1
 Probe Info  		C57(2.14)  LDD0169  [8]
HHS-475
 Probe Info  		Y602(0.32)  LDD0264  [9]
DBIA
 Probe Info  		C57(1.02); C738(0.86)  LDD0078  [10]
4-Iodoacetamidophenylacetylene
 Probe Info  		C83(0.00); C57(0.00); C738(0.00)  LDD0038  [11]
IA-alkyne
 Probe Info  		C250(0.00); C738(0.00); C83(0.00); C432(0.00)  LDD0036  [11]
Lodoacetamide azide
 Probe Info  		C738(0.00); C83(0.00); C57(0.00)  LDD0037  [11]
NAIA_4
 Probe Info  		C57(0.00); C432(0.00); C738(0.00)  LDD2226  [12]
WYneN
 Probe Info  		N.A.  LDD0021  [13]
WYneO
 Probe Info  		N.A.  LDD0022  [13]
Compound 10
 Probe Info  		C432(0.00); C57(0.00)  LDD2216  [14]
Compound 11
 Probe Info  		C432(0.00); C57(0.00)  LDD2213  [14]
IPM
 Probe Info  		C57(0.00); C891(0.00); C738(0.00)  LDD0147  [15]
TFBX
 Probe Info  		C57(0.00); C891(0.00)  LDD0148  [15]
VSF
 Probe Info  		N.A.  LDD0007  [13]
Phosphinate-6
 Probe Info  		N.A.  LDD0018  [16]
Acrolein
 Probe Info  		C57(0.00); C432(0.00)  LDD0217  [17]
Methacrolein
 Probe Info  		C432(0.00); C57(0.00)  LDD0218  [17]
W1
 Probe Info  		N.A.  LDD0236  [18]
AOyne
 Probe Info  		15.00  LDD0443  [19]
NAIA_5
 Probe Info  		C114(0.00); C57(0.00); C250(0.00); C83(0.00)  LDD2223  [12]
PAL-AfBPP Probe
Click To Hide/Show 3 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-1
 Probe Info  		N.A.  LDD0136  [20]
STS-2
 Probe Info  		N.A.  LDD0138  [20]
DA-2
 Probe Info  		N.A.  LDD0072  [21]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C83(0.81)  LDD2095  [4]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C738(0.97); C57(1.10)  LDD2117  [4]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C738(1.01); C57(1.22)  LDD2152  [4]
 LDCM0026  4SU-RNA+native RNA HEK-293T C57(2.14)  LDD0169  [8]
 LDCM0214  AC1 HCT 116 C114(0.89); C120(0.89); C250(1.19); C432(0.93)  LDD0531  [10]
 LDCM0215  AC10 HCT 116 C114(0.86); C120(0.86); C250(1.03); C432(1.13)  LDD0532  [10]
 LDCM0216  AC100 HCT 116 C114(0.66); C120(0.66); C250(0.60); C432(1.09)  LDD0533  [10]
 LDCM0217  AC101 HCT 116 C114(0.61); C120(0.61); C250(0.57); C432(1.10)  LDD0534  [10]
 LDCM0218  AC102 HCT 116 C114(0.61); C120(0.61); C250(0.60); C432(1.12)  LDD0535  [10]
 LDCM0219  AC103 HCT 116 C114(0.48); C120(0.48); C250(0.61); C432(1.33)  LDD0536  [10]
 LDCM0220  AC104 HCT 116 C114(0.56); C120(0.56); C250(0.57); C432(1.11)  LDD0537  [10]
 LDCM0221  AC105 HCT 116 C114(0.50); C120(0.50); C250(0.53); C432(1.19)  LDD0538  [10]
 LDCM0222  AC106 HCT 116 C114(0.52); C120(0.52); C250(0.54); C432(1.49)  LDD0539  [10]
 LDCM0223  AC107 HCT 116 C114(0.52); C120(0.50); C250(0.63); C432(1.16)  LDD0540  [10]
 LDCM0224  AC108 HCT 116 C114(0.66); C120(0.71); C250(0.59); C432(1.24)  LDD0541  [10]
 LDCM0225  AC109 HCT 116 C114(0.75); C120(0.77); C250(0.58); C432(1.13)  LDD0542  [10]
 LDCM0226  AC11 HCT 116 C114(0.73); C120(0.73); C250(1.06); C432(1.06)  LDD0543  [10]
 LDCM0227  AC110 HCT 116 C114(0.70); C120(0.72); C250(0.60); C432(1.32)  LDD0544  [10]
 LDCM0228  AC111 HCT 116 C114(0.65); C120(0.68); C250(0.63); C432(1.27)  LDD0545  [10]
 LDCM0229  AC112 HCT 116 C114(0.54); C120(0.54); C250(0.52); C432(1.27)  LDD0546  [10]
 LDCM0230  AC113 HCT 116 C114(0.87); C120(0.87); C250(0.99); C432(0.92)  LDD0547  [10]
 LDCM0231  AC114 HCT 116 C114(0.80); C120(0.80); C250(0.84); C432(0.83)  LDD0548  [10]
 LDCM0232  AC115 HCT 116 C114(0.79); C120(0.79); C250(0.79); C432(0.86)  LDD0549  [10]
 LDCM0233  AC116 HCT 116 C114(0.69); C120(0.69); C250(0.76); C432(1.03)  LDD0550  [10]
 LDCM0234  AC117 HCT 116 C114(0.80); C120(0.80); C250(0.94); C432(0.81)  LDD0551  [10]
 LDCM0235  AC118 HCT 116 C114(0.80); C120(0.80); C250(0.89); C432(0.91)  LDD0552  [10]
 LDCM0236  AC119 HCT 116 C114(0.83); C120(0.83); C250(0.92); C432(0.94)  LDD0553  [10]
 LDCM0237  AC12 HCT 116 C114(0.97); C120(0.97); C250(1.05); C432(1.10)  LDD0554  [10]
 LDCM0238  AC120 HCT 116 C114(0.75); C120(0.75); C250(0.79); C432(0.96)  LDD0555  [10]
 LDCM0239  AC121 HCT 116 C114(0.87); C120(0.87); C250(0.86); C432(0.97)  LDD0556  [10]
 LDCM0240  AC122 HCT 116 C114(0.80); C120(0.80); C250(0.91); C432(1.12)  LDD0557  [10]
 LDCM0241  AC123 HCT 116 C114(1.21); C120(1.21); C250(0.94); C432(0.90)  LDD0558  [10]
 LDCM0242  AC124 HCT 116 C114(0.92); C120(0.92); C250(0.87); C432(0.94)  LDD0559  [10]
 LDCM0243  AC125 HCT 116 C114(0.79); C120(0.79); C250(0.96); C432(1.16)  LDD0560  [10]
 LDCM0244  AC126 HCT 116 C114(0.76); C120(0.76); C250(0.91); C432(1.04)  LDD0561  [10]
 LDCM0245  AC127 HCT 116 C114(0.71); C120(0.71); C250(0.83); C432(1.04)  LDD0562  [10]
 LDCM0246  AC128 HCT 116 C114(0.99); C120(0.99); C250(1.03); C432(0.84)  LDD0563  [10]
 LDCM0247  AC129 HCT 116 C114(1.32); C120(1.32); C250(0.91); C432(0.59)  LDD0564  [10]
 LDCM0249  AC130 HCT 116 C114(0.93); C120(0.93); C250(0.95); C432(0.80)  LDD0566  [10]
 LDCM0250  AC131 HCT 116 C114(1.39); C120(1.39); C250(1.06); C432(0.83)  LDD0567  [10]
 LDCM0251  AC132 HCT 116 C114(1.02); C120(1.02); C250(1.07); C432(0.74)  LDD0568  [10]
 LDCM0252  AC133 HCT 116 C114(0.80); C120(0.80); C250(0.94); C432(0.71)  LDD0569  [10]
 LDCM0253  AC134 HCT 116 C114(0.77); C120(0.77); C250(0.99); C432(0.83)  LDD0570  [10]
 LDCM0254  AC135 HCT 116 C114(0.69); C120(0.69); C250(1.08); C432(0.83)  LDD0571  [10]
 LDCM0255  AC136 HCT 116 C114(0.78); C120(0.78); C250(1.00); C432(0.85)  LDD0572  [10]
 LDCM0256  AC137 HCT 116 C114(0.89); C120(0.89); C250(0.98); C432(0.93)  LDD0573  [10]
 LDCM0257  AC138 HCT 116 C114(0.75); C120(0.75); C250(1.02); C432(0.79)  LDD0574  [10]
 LDCM0258  AC139 HCT 116 C114(0.74); C120(0.74); C250(1.05); C432(0.77)  LDD0575  [10]
 LDCM0259  AC14 HCT 116 C114(0.87); C120(0.87); C250(1.13); C432(1.02)  LDD0576  [10]
 LDCM0260  AC140 HCT 116 C114(0.69); C120(0.69); C250(0.99); C432(0.77)  LDD0577  [10]
 LDCM0261  AC141 HCT 116 C114(0.75); C120(0.75); C250(0.99); C432(0.77)  LDD0578  [10]
 LDCM0262  AC142 HCT 116 C114(0.92); C120(0.92); C250(0.99); C432(0.78)  LDD0579  [10]
 LDCM0263  AC143 HCT 116 C114(0.80); C120(0.80); C83(0.81); C250(0.94)  LDD0580  [10]
 LDCM0264  AC144 HCT 116 C83(0.42); C120(0.70); C114(0.79); C250(0.82)  LDD0581  [10]
 LDCM0265  AC145 HCT 116 C83(0.66); C120(0.81); C738(0.87); C114(0.87)  LDD0582  [10]
 LDCM0266  AC146 HCT 116 C83(0.52); C120(0.67); C114(0.74); C250(0.94)  LDD0583  [10]
 LDCM0267  AC147 HCT 116 C83(0.41); C114(0.67); C120(0.74); C250(0.86)  LDD0584  [10]
 LDCM0268  AC148 HCT 116 C83(0.39); C114(0.63); C120(0.65); C250(0.80)  LDD0585  [10]
 LDCM0269  AC149 HCT 116 C83(0.41); C114(0.56); C120(0.61); C738(0.90)  LDD0586  [10]
 LDCM0270  AC15 HCT 116 C83(0.79); C114(0.87); C120(0.87); C432(1.02)  LDD0587  [10]
 LDCM0271  AC150 HCT 116 C83(0.75); C120(0.78); C114(0.80); C432(0.82)  LDD0588  [10]
 LDCM0272  AC151 HCT 116 C83(0.73); C120(0.82); C114(0.84); C432(0.89)  LDD0589  [10]
 LDCM0273  AC152 HCT 116 C83(0.40); C120(0.76); C114(0.76); C250(0.82)  LDD0590  [10]
 LDCM0274  AC153 HCT 116 C83(0.41); C120(0.61); C114(0.62); C250(0.94)  LDD0591  [10]
 LDCM0621  AC154 HCT 116 C114(0.67); C120(0.71); C250(0.92); C432(0.94)  LDD2158  [10]
 LDCM0622  AC155 HCT 116 C114(0.72); C120(0.70); C250(0.94); C432(1.05)  LDD2159  [10]
 LDCM0623  AC156 HCT 116 C114(0.80); C120(0.83); C250(0.90); C432(1.14)  LDD2160  [10]
 LDCM0624  AC157 HCT 116 C114(1.02); C120(1.02); C250(0.91); C432(0.87)  LDD2161  [10]
 LDCM0276  AC17 HCT 116 C432(0.90); C738(0.94); C250(0.95); C83(0.96)  LDD0593  [10]
 LDCM0277  AC18 HCT 116 C83(0.77); C250(0.92); C891(1.00); C432(1.04)  LDD0594  [10]
 LDCM0278  AC19 HCT 116 C83(0.87); C250(0.90); C432(0.90); C738(0.96)  LDD0595  [10]
 LDCM0279  AC2 HCT 116 C114(0.88); C120(0.88); C432(0.91); C57(0.95)  LDD0596  [10]
 LDCM0280  AC20 HCT 116 C250(0.80); C738(0.98); C891(0.98); C432(1.00)  LDD0597  [10]
 LDCM0281  AC21 HCT 116 C83(0.81); C432(0.93); C250(0.98); C738(1.09)  LDD0598  [10]
 LDCM0282  AC22 HCT 116 C432(0.91); C57(0.97); C250(0.98); C114(1.00)  LDD0599  [10]
 LDCM0283  AC23 HCT 116 C250(0.91); C738(0.94); C891(0.96); C83(1.01)  LDD0600  [10]
 LDCM0284  AC24 HCT 116 C57(0.84); C250(0.89); C738(0.91); C83(0.93)  LDD0601  [10]
 LDCM0285  AC25 HCT 116 C83(0.66); C432(1.01); C57(1.02); C114(1.14)  LDD0602  [10]
 LDCM0286  AC26 HCT 116 C83(0.65); C114(0.88); C120(0.88); C57(1.11)  LDD0603  [10]
 LDCM0287  AC27 HCT 116 C83(0.55); C114(0.88); C120(0.88); C57(1.05)  LDD0604  [10]
 LDCM0288  AC28 HCT 116 C83(0.60); C114(0.86); C120(0.86); C432(1.17)  LDD0605  [10]
 LDCM0289  AC29 HCT 116 C83(0.60); C114(0.82); C120(0.82); C57(1.13)  LDD0606  [10]
 LDCM0290  AC3 HCT 116 C114(0.87); C120(0.87); C432(0.91); C57(0.95)  LDD0607  [10]
 LDCM0291  AC30 HCT 116 C83(0.57); C114(0.79); C120(0.79); C432(1.14)  LDD0608  [10]
 LDCM0292  AC31 HCT 116 C83(0.65); C114(0.82); C120(0.82); C432(1.07)  LDD0609  [10]
 LDCM0293  AC32 HCT 116 C83(0.43); C114(0.67); C120(0.67); C432(1.23)  LDD0610  [10]
 LDCM0294  AC33 HCT 116 C83(0.49); C114(0.82); C120(0.82); C57(1.21)  LDD0611  [10]
 LDCM0295  AC34 HCT 116 C83(0.42); C114(0.88); C120(0.88); C432(1.14)  LDD0612  [10]
 LDCM0296  AC35 HCT 116 C891(0.80); C57(0.94); C432(1.07); C250(1.22)  LDD0613  [10]
 LDCM0297  AC36 HCT 116 C891(0.83); C57(0.92); C114(1.04); C120(1.04)  LDD0614  [10]
 LDCM0298  AC37 HCT 116 C57(0.78); C891(0.86); C83(0.99); C114(1.00)  LDD0615  [10]
 LDCM0299  AC38 HCT 116 C250(0.80); C891(0.83); C114(0.99); C120(0.99)  LDD0616  [10]
 LDCM0300  AC39 HCT 116 C114(0.82); C120(0.82); C83(0.96); C891(1.01)  LDD0617  [10]
 LDCM0301  AC4 HCT 116 C891(0.80); C114(0.85); C120(0.85); C432(0.86)  LDD0618  [10]
 LDCM0302  AC40 HCT 116 C114(0.81); C120(0.81); C891(0.93); C250(1.02)  LDD0619  [10]
 LDCM0303  AC41 HCT 116 C891(0.80); C114(0.83); C120(0.83); C57(1.05)  LDD0620  [10]
 LDCM0304  AC42 HCT 116 C114(0.78); C120(0.78); C250(0.81); C83(0.89)  LDD0621  [10]
 LDCM0305  AC43 HCT 116 C114(0.83); C120(0.83); C250(0.87); C891(0.95)  LDD0622  [10]
 LDCM0306  AC44 HCT 116 C114(0.74); C120(0.74); C83(0.92); C57(0.94)  LDD0623  [10]
 LDCM0307  AC45 HCT 116 C114(0.74); C120(0.74); C83(0.75); C891(1.06)  LDD0624  [10]
 LDCM0308  AC46 HCT 116 C114(0.87); C120(0.87); C250(1.02); C57(1.06)  LDD0625  [10]
 LDCM0309  AC47 HCT 116 C114(0.80); C120(0.80); C57(0.91); C250(0.97)  LDD0626  [10]
 LDCM0310  AC48 HCT 116 C114(0.78); C120(0.78); C57(0.90); C738(1.09)  LDD0627  [10]
 LDCM0311  AC49 HCT 116 C250(0.74); C114(0.74); C120(0.74); C83(0.85)  LDD0628  [10]
 LDCM0312  AC5 HCT 116 C432(0.78); C114(0.82); C120(0.82); C891(0.82)  LDD0629  [10]
 LDCM0313  AC50 HCT 116 C114(0.84); C120(0.84); C83(0.88); C250(0.90)  LDD0630  [10]
 LDCM0314  AC51 HCT 116 C57(0.82); C738(0.93); C114(0.94); C120(0.94)  LDD0631  [10]
 LDCM0315  AC52 HCT 116 C114(0.80); C120(0.80); C250(0.94); C57(0.95)  LDD0632  [10]
 LDCM0316  AC53 HCT 116 C114(0.78); C120(0.78); C83(0.78); C250(0.94)  LDD0633  [10]
 LDCM0317  AC54 HCT 116 C114(0.87); C120(0.87); C250(0.94); C83(0.97)  LDD0634  [10]
 LDCM0318  AC55 HCT 116 C114(0.78); C120(0.78); C83(0.79); C250(0.88)  LDD0635  [10]
 LDCM0319  AC56 HCT 116 C114(0.87); C120(0.87); C250(0.94); C83(1.00)  LDD0636  [10]
 LDCM0320  AC57 HCT 116 C114(0.72); C120(0.72); C83(0.74); C250(0.80)  LDD0637  [10]
 LDCM0321  AC58 HCT 116 C83(0.70); C114(0.72); C120(0.72); C250(0.85)  LDD0638  [10]
 LDCM0322  AC59 HCT 116 C83(0.64); C250(0.71); C114(0.72); C120(0.72)  LDD0639  [10]
 LDCM0323  AC6 HCT 116 C83(0.74); C114(0.80); C120(0.80); C250(0.87)  LDD0640  [10]
 LDCM0324  AC60 HCT 116 C83(0.64); C250(0.73); C114(0.76); C120(0.76)  LDD0641  [10]
 LDCM0325  AC61 HCT 116 C114(0.68); C120(0.68); C83(0.78); C250(0.91)  LDD0642  [10]
 LDCM0326  AC62 HCT 116 C83(0.61); C250(0.71); C114(0.75); C120(0.75)  LDD0643  [10]
 LDCM0327  AC63 HCT 116 C83(0.68); C250(0.72); C114(0.79); C120(0.79)  LDD0644  [10]
 LDCM0328  AC64 HCT 116 C83(0.62); C250(0.76); C114(0.77); C120(0.77)  LDD0645  [10]
 LDCM0329  AC65 HCT 116 C114(0.69); C120(0.69); C83(0.69); C250(0.77)  LDD0646  [10]
 LDCM0330  AC66 HCT 116 C114(0.69); C120(0.69); C83(0.80); C250(0.82)  LDD0647  [10]
 LDCM0331  AC67 HCT 116 C83(0.63); C250(0.66); C114(0.66); C120(0.66)  LDD0648  [10]
 LDCM0332  AC68 HCT 116 C114(0.74); C120(0.74); C83(0.79); C250(0.84)  LDD0649  [10]
 LDCM0333  AC69 HCT 116 C83(0.77); C114(0.79); C120(0.79); C250(0.88)  LDD0650  [10]
 LDCM0334  AC7 HCT 116 C114(0.86); C120(0.86); C83(0.91); C432(0.94)  LDD0651  [10]
 LDCM0335  AC70 HCT 116 C114(0.59); C120(0.59); C83(0.60); C250(0.62)  LDD0652  [10]
 LDCM0336  AC71 HCT 116 C114(0.85); C120(0.85); C250(0.99); C83(1.01)  LDD0653  [10]
 LDCM0337  AC72 HCT 116 C114(0.71); C120(0.71); C83(0.71); C250(0.87)  LDD0654  [10]
 LDCM0338  AC73 HCT 116 C114(0.61); C120(0.61); C83(0.69); C250(0.89)  LDD0655  [10]
 LDCM0339  AC74 HCT 116 C114(0.72); C120(0.72); C83(0.74); C250(0.89)  LDD0656  [10]
 LDCM0340  AC75 HCT 116 C114(0.73); C120(0.73); C83(0.77); C250(0.87)  LDD0657  [10]
 LDCM0341  AC76 HCT 116 C83(0.63); C114(0.67); C120(0.67); C250(0.86)  LDD0658  [10]
 LDCM0342  AC77 HCT 116 C83(0.65); C114(0.66); C120(0.66); C250(0.91)  LDD0659  [10]
 LDCM0343  AC78 HCT 116 C114(0.85); C120(0.85); C250(0.95); C83(0.98)  LDD0660  [10]
 LDCM0344  AC79 HCT 116 C114(0.69); C120(0.69); C83(0.92); C250(0.99)  LDD0661  [10]
 LDCM0345  AC8 HCT 116 C114(0.82); C120(0.82); C83(0.83); C250(0.86)  LDD0662  [10]
 LDCM0346  AC80 HCT 116 C83(0.71); C114(0.82); C120(0.82); C250(0.92)  LDD0663  [10]
 LDCM0347  AC81 HCT 116 C114(0.93); C120(0.93); C250(1.10); C738(1.20)  LDD0664  [10]
 LDCM0348  AC82 HCT 116 C114(0.73); C120(0.73); C250(0.78); C83(0.89)  LDD0665  [10]
 LDCM0349  AC83 HCT 116 C83(0.52); C114(0.60); C120(0.60); C250(0.85)  LDD0666  [10]
 LDCM0350  AC84 HCT 116 C83(0.55); C114(0.64); C120(0.64); C250(0.73)  LDD0667  [10]
 LDCM0351  AC85 HCT 116 C83(0.59); C114(0.77); C120(0.77); C250(0.83)  LDD0668  [10]
 LDCM0352  AC86 HCT 116 C83(0.59); C114(0.71); C120(0.71); C250(0.85)  LDD0669  [10]
 LDCM0353  AC87 HCT 116 C250(0.79); C114(0.96); C120(0.96); C891(1.00)  LDD0670  [10]
 LDCM0354  AC88 HCT 116 C250(0.79); C114(0.89); C120(0.89); C83(0.97)  LDD0671  [10]
 LDCM0355  AC89 HCT 116 C83(0.49); C250(0.78); C114(0.85); C120(0.85)  LDD0672  [10]
 LDCM0357  AC90 HCT 116 C57(0.79); C250(0.90); C83(1.03); C891(1.08)  LDD0674  [10]
 LDCM0358  AC91 HCT 116 C83(0.48); C114(0.68); C120(0.68); C250(0.85)  LDD0675  [10]
 LDCM0359  AC92 HCT 116 C83(0.50); C114(0.67); C120(0.67); C250(0.82)  LDD0676  [10]
 LDCM0360  AC93 HCT 116 C83(0.65); C250(0.73); C114(0.94); C120(0.94)  LDD0677  [10]
 LDCM0361  AC94 HCT 116 C83(0.67); C250(0.86); C114(1.08); C120(1.08)  LDD0678  [10]
 LDCM0362  AC95 HCT 116 C83(0.78); C250(0.84); C114(0.84); C120(0.84)  LDD0679  [10]
 LDCM0363  AC96 HCT 116 C83(0.53); C250(0.88); C738(0.96); C114(1.01)  LDD0680  [10]
 LDCM0364  AC97 HCT 116 C83(0.45); C114(0.63); C120(0.63); C250(0.68)  LDD0681  [10]
 LDCM0365  AC98 HCT 116 C83(0.42); C114(0.42); C120(0.42); C250(0.54)  LDD0682  [10]
 LDCM0366  AC99 HCT 116 C83(0.58); C114(0.67); C120(0.67); C250(0.67)  LDD0683  [10]
 LDCM0545  Acetamide MDA-MB-231 C57(0.79)  LDD2138  [4]
 LDCM0248  AKOS034007472 HCT 116 C114(0.86); C120(0.86); C250(1.08); C432(1.13)  LDD0565  [10]
 LDCM0356  AKOS034007680 HCT 116 C114(0.77); C120(0.77); C83(0.80); C57(1.01)  LDD0673  [10]
 LDCM0275  AKOS034007705 HCT 116 C83(0.57); C114(0.68); C120(0.68); C250(0.81)  LDD0592  [10]
 LDCM0156  Aniline NCI-H1299 11.75  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C57(1.02); C738(0.86)  LDD0078  [10]
 LDCM0498  BS-3668 MDA-MB-231 C57(0.69)  LDD2091  [4]
 LDCM0630  CCW28-3 231MFP C57(1.57)  LDD2214  [22]
 LDCM0108  Chloroacetamide HeLa C57(0.00); C432(0.00)  LDD0222  [17]
 LDCM0632  CL-Sc Hep-G2 C57(1.46); C432(1.31)  LDD2227  [12]
 LDCM0367  CL1 HCT 116 C432(0.85); C250(0.89); C57(0.96); C738(1.02)  LDD0684  [10]
 LDCM0368  CL10 HCT 116 C83(0.75); C114(0.79); C120(0.79); C432(0.93)  LDD0685  [10]
 LDCM0369  CL100 HCT 116 C114(0.87); C120(0.87); C57(0.92); C891(0.94)  LDD0686  [10]
 LDCM0370  CL101 HCT 116 C83(0.73); C250(0.92); C432(1.01); C114(1.07)  LDD0687  [10]
 LDCM0371  CL102 HCT 116 C83(0.88); C432(0.96); C738(0.98); C891(0.98)  LDD0688  [10]
 LDCM0372  CL103 HCT 116 C57(0.78); C891(0.94); C738(0.95); C83(1.02)  LDD0689  [10]
 LDCM0373  CL104 HCT 116 C83(0.89); C57(0.93); C432(1.02); C114(1.03)  LDD0690  [10]
 LDCM0374  CL105 HCT 116 C432(0.92); C250(0.97); C83(1.02); C738(1.04)  LDD0691  [10]
 LDCM0375  CL106 HCT 116 C83(0.93); C432(0.95); C250(1.10); C738(1.12)  LDD0692  [10]
 LDCM0376  CL107 HCT 116 C83(0.75); C432(0.91); C250(0.93); C114(0.96)  LDD0693  [10]
 LDCM0377  CL108 HCT 116 C83(0.84); C250(0.84); C432(0.85); C114(1.11)  LDD0694  [10]
 LDCM0378  CL109 HCT 116 C83(0.83); C250(0.95); C738(1.03); C432(1.07)  LDD0695  [10]
 LDCM0379  CL11 HCT 116 C114(0.79); C120(0.79); C83(0.85); C891(1.06)  LDD0696  [10]
 LDCM0380  CL110 HCT 116 C250(0.75); C83(0.86); C432(0.93); C738(1.01)  LDD0697  [10]
 LDCM0381  CL111 HCT 116 C250(0.81); C83(0.82); C432(0.90); C738(0.92)  LDD0698  [10]
 LDCM0382  CL112 HCT 116 C83(0.99); C114(1.01); C120(1.01); C432(1.11)  LDD0699  [10]
 LDCM0383  CL113 HCT 116 C83(0.52); C114(0.74); C120(0.74); C432(1.20)  LDD0700  [10]
 LDCM0384  CL114 HCT 116 C83(0.60); C114(0.86); C120(0.86); C432(1.11)  LDD0701  [10]
 LDCM0385  CL115 HCT 116 C83(0.65); C114(0.87); C120(0.87); C432(1.22)  LDD0702  [10]
 LDCM0386  CL116 HCT 116 C83(0.54); C114(0.83); C120(0.83); C57(1.15)  LDD0703  [10]
 LDCM0387  CL117 HCT 116 C250(0.95); C114(1.01); C120(1.01); C83(1.07)  LDD0704  [10]
 LDCM0388  CL118 HCT 116 C114(0.79); C120(0.79); C57(0.97); C83(1.04)  LDD0705  [10]
 LDCM0389  CL119 HCT 116 C83(0.81); C114(0.83); C120(0.83); C57(0.98)  LDD0706  [10]
 LDCM0390  CL12 HCT 116 C83(0.73); C114(0.74); C120(0.74); C891(1.03)  LDD0707  [10]
 LDCM0391  CL120 HCT 116 C114(0.83); C120(0.83); C57(0.86); C891(0.99)  LDD0708  [10]
 LDCM0392  CL121 HCT 116 C250(0.72); C83(0.76); C57(0.92); C738(0.94)  LDD0709  [10]
 LDCM0393  CL122 HCT 116 C114(0.77); C120(0.77); C250(0.95); C83(1.01)  LDD0710  [10]
 LDCM0394  CL123 HCT 116 C250(0.97); C738(0.98); C114(1.01); C120(1.01)  LDD0711  [10]
 LDCM0395  CL124 HCT 116 C114(0.76); C120(0.76); C83(0.82); C250(0.89)  LDD0712  [10]
 LDCM0396  CL125 HCT 116 C114(0.85); C120(0.85); C83(1.01); C738(1.03)  LDD0713  [10]
 LDCM0397  CL126 HCT 116 C114(0.84); C120(0.84); C250(0.95); C83(0.96)  LDD0714  [10]
 LDCM0398  CL127 HCT 116 C114(0.83); C120(0.83); C83(0.87); C250(0.90)  LDD0715  [10]
 LDCM0399  CL128 HCT 116 C114(0.66); C120(0.66); C83(0.70); C250(0.76)  LDD0716  [10]
 LDCM0400  CL13 HCT 116 C114(0.73); C120(0.73); C83(0.82); C432(0.93)  LDD0717  [10]
 LDCM0401  CL14 HCT 116 C432(0.86); C83(0.89); C57(0.92); C738(1.01)  LDD0718  [10]
 LDCM0402  CL15 HCT 116 C891(0.85); C432(0.89); C83(0.93); C57(1.01)  LDD0719  [10]
 LDCM0403  CL16 HCT 116 C83(0.70); C432(0.88); C738(1.00); C57(1.02)  LDD0720  [10]
 LDCM0404  CL17 HCT 116 C250(0.82); C738(0.91); C432(0.92); C891(1.07)  LDD0721  [10]
 LDCM0405  CL18 HCT 116 C83(0.65); C891(0.83); C114(0.88); C120(0.88)  LDD0722  [10]
 LDCM0406  CL19 HCT 116 C83(0.73); C891(0.87); C114(0.98); C120(0.98)  LDD0723  [10]
 LDCM0407  CL2 HCT 116 C57(0.84); C432(0.95); C738(1.02); C891(1.07)  LDD0724  [10]
 LDCM0408  CL20 HCT 116 C83(0.52); C114(0.85); C120(0.85); C250(1.10)  LDD0725  [10]
 LDCM0409  CL21 HCT 116 C83(0.76); C114(0.92); C120(0.92); C891(1.04)  LDD0726  [10]
 LDCM0410  CL22 HCT 116 C83(0.67); C891(0.81); C114(0.93); C120(0.93)  LDD0727  [10]
 LDCM0411  CL23 HCT 116 C83(0.70); C891(0.88); C114(0.95); C120(0.95)  LDD0728  [10]
 LDCM0412  CL24 HCT 116 C83(0.52); C891(0.83); C114(0.84); C120(0.84)  LDD0729  [10]
 LDCM0413  CL25 HCT 116 C114(0.85); C120(0.85); C250(0.88); C432(1.23)  LDD0730  [10]
 LDCM0414  CL26 HCT 116 C114(1.00); C120(1.00); C250(1.21); C432(1.03)  LDD0731  [10]
 LDCM0415  CL27 HCT 116 C114(0.92); C120(0.92); C250(1.08); C432(1.05)  LDD0732  [10]
 LDCM0416  CL28 HCT 116 C114(1.01); C120(1.01); C250(1.16); C432(1.06)  LDD0733  [10]
 LDCM0417  CL29 HCT 116 C114(0.87); C120(0.87); C250(1.13); C432(1.14)  LDD0734  [10]
 LDCM0418  CL3 HCT 116 C114(1.13); C120(1.13); C250(0.98); C432(0.99)  LDD0735  [10]
 LDCM0419  CL30 HCT 116 C114(1.02); C120(1.02); C250(1.13); C432(0.95)  LDD0736  [10]
 LDCM0420  CL31 HCT 116 C114(0.98); C120(0.98); C250(0.84); C432(1.13)  LDD0737  [10]
 LDCM0421  CL32 HCT 116 C114(0.72); C120(0.72); C250(0.97); C57(1.25)  LDD0738  [10]
 LDCM0422  CL33 HCT 116 C114(0.79); C120(0.79); C250(0.74); C57(1.27)  LDD0739  [10]
 LDCM0423  CL34 HCT 116 C114(0.75); C120(0.75); C250(0.72); C57(1.64)  LDD0740  [10]
 LDCM0424  CL35 HCT 116 C114(0.78); C120(0.78); C250(0.71); C57(1.78)  LDD0741  [10]
 LDCM0425  CL36 HCT 116 C114(0.85); C120(0.85); C250(0.65); C57(1.57)  LDD0742  [10]
 LDCM0426  CL37 HCT 116 C114(0.82); C120(0.82); C250(0.73); C57(1.73)  LDD0743  [10]
 LDCM0428  CL39 HCT 116 C114(0.84); C120(0.84); C250(0.81); C57(1.89)  LDD0745  [10]
 LDCM0429  CL4 HCT 116 C114(1.06); C120(1.06); C250(1.25); C432(0.93)  LDD0746  [10]
 LDCM0430  CL40 HCT 116 C114(0.88); C120(0.88); C250(0.82); C57(1.56)  LDD0747  [10]
 LDCM0431  CL41 HCT 116 C114(0.81); C120(0.81); C250(0.81); C57(1.54)  LDD0748  [10]
 LDCM0432  CL42 HCT 116 C114(0.80); C120(0.80); C250(0.74); C57(2.79)  LDD0749  [10]
 LDCM0433  CL43 HCT 116 C114(0.80); C120(0.80); C250(0.92); C57(1.68)  LDD0750  [10]
 LDCM0434  CL44 HCT 116 C114(0.84); C120(0.84); C250(0.84); C57(1.50)  LDD0751  [10]
 LDCM0435  CL45 HCT 116 C114(0.79); C120(0.79); C250(0.77); C57(1.78)  LDD0752  [10]
 LDCM0436  CL46 HCT 116 C114(1.60); C120(1.60); C250(1.02); C432(0.96)  LDD0753  [10]
 LDCM0437  CL47 HCT 116 C114(1.54); C120(1.54); C250(1.01); C432(0.98)  LDD0754  [10]
 LDCM0438  CL48 HCT 116 C114(1.64); C120(1.64); C250(1.17); C432(0.96)  LDD0755  [10]
 LDCM0439  CL49 HCT 116 C114(1.53); C120(1.53); C250(1.07); C432(1.09)  LDD0756  [10]
 LDCM0440  CL5 HCT 116 C114(0.97); C120(0.97); C250(1.12); C432(0.98)  LDD0757  [10]
 LDCM0441  CL50 HCT 116 C114(1.38); C120(1.38); C250(1.02); C432(1.08)  LDD0758  [10]
 LDCM0442  CL51 HCT 116 C114(1.30); C120(1.30); C250(1.05); C432(1.05)  LDD0759  [10]
 LDCM0443  CL52 HCT 116 C114(1.22); C120(1.22); C250(0.93); C432(1.15)  LDD0760  [10]
 LDCM0444  CL53 HCT 116 C114(1.57); C120(1.57); C250(1.05); C432(1.08)  LDD0761  [10]
 LDCM0445  CL54 HCT 116 C114(1.78); C120(1.78); C250(1.14); C432(1.07)  LDD0762  [10]
 LDCM0446  CL55 HCT 116 C114(1.71); C120(1.71); C250(1.09); C432(0.96)  LDD0763  [10]
 LDCM0447  CL56 HCT 116 C114(1.16); C120(1.16); C250(0.88); C432(1.01)  LDD0764  [10]
 LDCM0448  CL57 HCT 116 C114(1.43); C120(1.43); C250(1.04); C432(0.92)  LDD0765  [10]
 LDCM0449  CL58 HCT 116 C114(1.45); C120(1.45); C250(1.11); C432(0.98)  LDD0766  [10]
 LDCM0450  CL59 HCT 116 C114(1.22); C120(1.22); C250(0.99); C432(1.00)  LDD0767  [10]
 LDCM0451  CL6 HCT 116 C114(0.87); C120(0.87); C250(1.20); C432(1.03)  LDD0768  [10]
 LDCM0452  CL60 HCT 116 C114(1.35); C120(1.35); C250(1.09); C432(0.95)  LDD0769  [10]
 LDCM0453  CL61 HCT 116 C114(0.94); C120(0.94); C250(0.83); C432(1.10)  LDD0770  [10]
 LDCM0454  CL62 HCT 116 C114(0.90); C120(0.90); C250(0.72); C432(1.12)  LDD0771  [10]
 LDCM0455  CL63 HCT 116 C114(0.92); C120(0.92); C250(0.79); C432(1.06)  LDD0772  [10]
 LDCM0456  CL64 HCT 116 C114(0.76); C120(0.76); C250(0.68); C432(1.26)  LDD0773  [10]
 LDCM0457  CL65 HCT 116 C114(0.87); C120(0.87); C250(0.76); C432(1.10)  LDD0774  [10]
 LDCM0458  CL66 HCT 116 C114(0.87); C120(0.87); C250(0.58); C432(1.13)  LDD0775  [10]
 LDCM0459  CL67 HCT 116 C114(0.88); C120(0.88); C250(0.73); C432(1.23)  LDD0776  [10]
 LDCM0460  CL68 HCT 116 C114(0.79); C120(0.79); C250(0.93); C432(1.13)  LDD0777  [10]
 LDCM0461  CL69 HCT 116 C114(0.88); C120(0.88); C250(1.23); C432(1.07)  LDD0778  [10]
 LDCM0462  CL7 HCT 116 C114(0.75); C120(0.75); C250(1.22); C432(1.03)  LDD0779  [10]
 LDCM0463  CL70 HCT 116 C114(0.80); C120(0.80); C250(0.77); C432(1.00)  LDD0780  [10]
 LDCM0464  CL71 HCT 116 C114(0.82); C120(0.82); C250(0.68); C432(1.27)  LDD0781  [10]
 LDCM0465  CL72 HCT 116 C114(0.77); C120(0.77); C250(0.84); C432(1.21)  LDD0782  [10]
 LDCM0466  CL73 HCT 116 C114(0.79); C120(0.79); C250(0.81); C432(1.10)  LDD0783  [10]
 LDCM0467  CL74 HCT 116 C114(0.88); C120(0.88); C250(0.79); C432(1.17)  LDD0784  [10]
 LDCM0469  CL76 HCT 116 C114(0.93); C120(0.93); C250(1.28); C432(0.82)  LDD0786  [10]
 LDCM0470  CL77 HCT 116 C114(0.88); C120(0.88); C250(0.91); C432(0.72)  LDD0787  [10]
 LDCM0471  CL78 HCT 116 C114(0.81); C120(0.81); C250(1.03); C432(0.90)  LDD0788  [10]
 LDCM0472  CL79 HCT 116 C114(0.80); C120(0.80); C250(1.01); C432(0.82)  LDD0789  [10]
 LDCM0473  CL8 HCT 116 C114(0.69); C120(0.69); C250(0.85); C432(1.16)  LDD0790  [10]
 LDCM0474  CL80 HCT 116 C114(0.81); C120(0.81); C250(1.34); C432(0.97)  LDD0791  [10]
 LDCM0475  CL81 HCT 116 C114(0.86); C120(0.86); C250(1.09); C432(0.88)  LDD0792  [10]
 LDCM0476  CL82 HCT 116 C114(0.85); C120(0.85); C250(1.08); C432(0.74)  LDD0793  [10]
 LDCM0477  CL83 HCT 116 C114(0.75); C120(0.75); C250(0.88); C432(0.85)  LDD0794  [10]
 LDCM0478  CL84 HCT 116 C114(0.78); C120(0.78); C250(1.06); C432(0.93)  LDD0795  [10]
 LDCM0479  CL85 HCT 116 C114(0.80); C120(0.80); C250(1.18); C432(0.84)  LDD0796  [10]
 LDCM0480  CL86 HCT 116 C114(0.86); C120(0.86); C250(1.73); C432(0.81)  LDD0797  [10]
 LDCM0481  CL87 HCT 116 C114(0.93); C120(0.93); C250(1.24); C432(0.84)  LDD0798  [10]
 LDCM0482  CL88 HCT 116 C114(0.78); C120(0.78); C250(0.90); C432(0.81)  LDD0799  [10]
 LDCM0483  CL89 HCT 116 C114(0.80); C120(0.80); C250(1.01); C432(0.90)  LDD0800  [10]
 LDCM0484  CL9 HCT 116 C114(0.88); C120(0.88); C250(1.03); C432(0.99)  LDD0801  [10]
 LDCM0485  CL90 HCT 116 C114(1.06); C120(1.06); C250(1.29); C432(0.80)  LDD0802  [10]
 LDCM0486  CL91 HCT 116 C114(0.95); C120(0.95); C250(1.02); C432(0.92)  LDD0803  [10]
 LDCM0487  CL92 HCT 116 C114(1.07); C120(1.07); C250(0.95); C432(0.92)  LDD0804  [10]
 LDCM0488  CL93 HCT 116 C114(1.10); C120(1.10); C250(0.98); C432(0.81)  LDD0805  [10]
 LDCM0489  CL94 HCT 116 C114(1.25); C120(1.25); C250(0.94); C432(0.94)  LDD0806  [10]
 LDCM0490  CL95 HCT 116 C114(0.91); C120(0.91); C250(0.88); C432(0.87)  LDD0807  [10]
 LDCM0491  CL96 HCT 116 C114(0.94); C120(0.94); C250(0.96); C432(0.87)  LDD0808  [10]
 LDCM0492  CL97 HCT 116 C114(0.95); C120(0.95); C250(0.85); C432(0.90)  LDD0809  [10]
 LDCM0493  CL98 HCT 116 C114(0.88); C120(0.88); C250(1.10); C432(0.90)  LDD0810  [10]
 LDCM0494  CL99 HCT 116 C114(0.89); C120(0.89); C250(1.12); C432(0.91)  LDD0811  [10]
 LDCM0028  Dobutamine HEK-293T 10.41  LDD0180  [7]
 LDCM0495  E2913 HEK-293T C57(1.10); C432(0.96); C738(0.95); C891(0.98)  LDD1698  [23]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C57(1.04); C738(0.92)  LDD1702  [4]
 LDCM0625  F8 Ramos C57(1.24)  LDD2187  [24]
 LDCM0572  Fragment10 Ramos C57(2.60)  LDD2189  [24]
 LDCM0573  Fragment11 Ramos C57(12.23)  LDD2190  [24]
 LDCM0574  Fragment12 Ramos C57(1.01)  LDD2191  [24]
 LDCM0575  Fragment13 Ramos C57(0.73)  LDD2192  [24]
 LDCM0576  Fragment14 Ramos C57(1.12)  LDD2193  [24]
 LDCM0579  Fragment20 Ramos C57(1.13)  LDD2194  [24]
 LDCM0580  Fragment21 Ramos C57(1.07)  LDD2195  [24]
 LDCM0582  Fragment23 Ramos C57(1.00)  LDD2196  [24]
 LDCM0578  Fragment27 Ramos C57(0.99)  LDD2197  [24]
 LDCM0586  Fragment28 Ramos C57(0.77)  LDD2198  [24]
 LDCM0588  Fragment30 Ramos C57(1.40)  LDD2199  [24]
 LDCM0589  Fragment31 Ramos C57(1.01)  LDD2200  [24]
 LDCM0590  Fragment32 Ramos C57(1.37)  LDD2201  [24]
 LDCM0468  Fragment33 HCT 116 C114(0.83); C120(0.83); C250(0.84); C432(1.12)  LDD0785  [10]
 LDCM0596  Fragment38 Ramos C57(0.96)  LDD2203  [24]
 LDCM0566  Fragment4 Ramos C57(0.64)  LDD2184  [24]
 LDCM0427  Fragment51 HCT 116 C114(0.77); C120(0.77); C250(0.67); C57(2.27)  LDD0744  [10]
 LDCM0610  Fragment52 Ramos C57(0.91)  LDD2204  [24]
 LDCM0614  Fragment56 Ramos C57(1.16)  LDD2205  [24]
 LDCM0569  Fragment7 Ramos C57(2.22)  LDD2186  [24]
 LDCM0571  Fragment9 Ramos C57(1.85)  LDD2188  [24]
 LDCM0116  HHS-0101 DM93 Y602(0.32)  LDD0264  [9]
 LDCM0117  HHS-0201 DM93 Y602(1.52)  LDD0265  [9]
 LDCM0120  HHS-0701 DM93 Y602(1.38)  LDD0268  [9]
 LDCM0022  KB02 HCT 116 C114(1.11); C120(1.11)  LDD0080  [10]
 LDCM0023  KB03 HCT 116 C114(1.34); C120(1.34)  LDD0081  [10]
 LDCM0024  KB05 HCT 116 C114(1.19); C120(1.19)  LDD0082  [10]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C57(0.80)  LDD2121  [4]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C57(0.80)  LDD2089  [4]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C738(1.90); C57(0.84)  LDD2092  [4]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C738(1.21); C57(0.99)  LDD2093  [4]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C57(0.49)  LDD2096  [4]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C738(0.67); C57(0.98)  LDD2098  [4]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C57(0.85)  LDD2104  [4]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C57(1.11)  LDD2105  [4]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C83(1.19); C738(0.68)  LDD2107  [4]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C83(0.64); C738(0.83)  LDD2109  [4]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C738(1.04)  LDD2111  [4]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C57(0.89)  LDD2114  [4]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C738(1.54)  LDD2116  [4]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C57(0.92)  LDD2118  [4]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C738(1.87)  LDD2119  [4]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C738(1.79); C57(1.01)  LDD2122  [4]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C83(1.09); C738(0.76); C57(0.93)  LDD2123  [4]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C738(1.66); C57(0.93)  LDD2124  [4]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C83(1.10); C738(1.03)  LDD2125  [4]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C738(1.68); C57(0.89)  LDD2126  [4]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C738(1.00)  LDD2127  [4]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C738(0.91)  LDD2129  [4]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C83(0.99); C738(1.14)  LDD2136  [4]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C738(0.94)  LDD2137  [4]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C738(1.20)  LDD1700  [4]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C83(0.87); C738(0.84); C57(1.01)  LDD2140  [4]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C57(1.18)  LDD2141  [4]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C738(1.15)  LDD2144  [4]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C83(0.98); C738(1.03); C57(0.98)  LDD2146  [4]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C738(1.84)  LDD2149  [4]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C57(0.71)  LDD2150  [4]
 LDCM0032  Oleacein HEK-293T 19.65  LDD0184  [7]
 LDCM0029  Quercetin HEK-293T 10.50  LDD0181  [7]
 LDCM0003  Sulforaphane MDA-MB-231 2.17  LDD0160  [6]
 LDCM0021  THZ1 HCT 116 C891(1.10); C738(0.97); C114(1.03); C120(1.03)  LDD2173  [10]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Mitogen-activated protein kinase kinase kinase 8 (MAP3K8) STE Ser/Thr protein kinase family P41279
Transcription factor
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
NF-kappa-B inhibitor alpha (NFKBIA) NF-kappa-B inhibitor family P25963
Nuclear factor NF-kappa-B p105 subunit (NFKB1) . P19838
Proto-oncogene c-Rel (REL) . Q04864
Transcription factor RelB (RELB) . Q01201
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Small ubiquitin-related modifier 1 (SUMO1) Ubiquitin family P63165

The Drug(s) Related To This Target

Approved
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Donepezil Small molecular drug DB00843
Sulfasalazine Small molecular drug DB00795
Fish Oil . DB13961
Glycyrrhizic Acid . DB13751
Phase 3
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Dims-0150 Antisense drug D0U1HX
Investigative
Click To Hide/Show 9 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Sgn-30 Antibody DB05471
Custirsen Small molecular drug DB05487
He3286 Small molecular drug DB05212
Pranlukast Small molecular drug DB01411
Sc-236 Small molecular drug DB14059
Andrographolide . DB05767
Nox-700 . DB05464
P54 . DB05451
Terpinen-4-ol . DB12816

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
3 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
4 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
5 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
6 Competition-based, quantitative chemical proteomics in breast cancer cells identifies new target profiles for sulforaphane. Chem Commun (Camb). 2017 May 4;53(37):5182-5185. doi: 10.1039/c6cc08797c.
Mass spectrometry data entry: PXD006279
7 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
8 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
9 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
10 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
11 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
12 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
13 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
14 Multiplexed CuAAC Suzuki-Miyaura Labeling for Tandem Activity-Based Chemoproteomic Profiling. Anal Chem. 2021 Feb 2;93(4):2610-2618. doi: 10.1021/acs.analchem.0c04726. Epub 2021 Jan 20.
Mass spectrometry data entry: PXD022279
15 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
16 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
17 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
18 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
19 Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
20 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
21 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
22 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
23 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
24 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578