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BDBM50025052 CHEMBL517256

SMILES: Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(CCC#N)nc12

InChI Key: InChIKey=ROKHIMCJFLHDFE-JQIJEIRASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50025052   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50025052
PNG
(CHEMBL517256)
Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(CCC#N)nc12
Show InChI InChI=1S/C26H27N6OP/c1-18-7-5-8-19(2)22(18)14-16-32-17-28-24-25(30-23(9-6-15-27)31-26(24)32)29-20-10-12-21(13-11-20)34(3,4)33/h5,7-8,10-14,16-17H,6,9H2,1-4H3,(H,29,30,31)/b16-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<0.460n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Src kinase by TR-FRET assay


Bioorg Med Chem Lett 18: 4907-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.042
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50025052
PNG
(CHEMBL517256)
Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(CCC#N)nc12
Show InChI InChI=1S/C26H27N6OP/c1-18-7-5-8-19(2)22(18)14-16-32-17-28-24-25(30-23(9-6-15-27)31-26(24)32)29-20-10-12-21(13-11-20)34(3,4)33/h5,7-8,10-14,16-17H,6,9H2,1-4H3,(H,29,30,31)/b16-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<0.460n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


Bioorg Med Chem Lett 18: 4907-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.042
More data for this
Ligand-Target Pair