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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50059169'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50059169
PNG
(CHEMBL3393285)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)n2ccnc2n1
Show InChI InChI=1S/C20H20N8O/c1-22-17(29)15-4-2-3-5-16(15)25-18-26-19-23-10-11-28(19)20(27-18)24-14-8-6-13(12-21)7-9-14/h2-11H,12,21H2,1H3,(H,22,29)(H2,23,24,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay


J Med Chem 58: 237-51 (2015)


Article DOI: 10.1021/jm500784e
BindingDB Entry DOI: 10.7270/Q2B27WZC
More data for this
Ligand-Target Pair