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BDBM50183995 CHEMBL380312::N-(2-cyanoethyl)-6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)picolinamide

SMILES: COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCC#N)c3n2)cc(OC)c1OC

InChI Key: InChIKey=JJXVCLISCFMMPU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183995   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183995
PNG
(CHEMBL380312 | N-(2-cyanoethyl)-6-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCC#N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H23N7O4/c1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25/h4,6-8,11-14H,5,10H2,1-3H3,(H,26,32)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 242n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair