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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 = 'BDBM50059166'   
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))
BDBM50059166
PNG
(CHEMBL3393288)
Show SMILES COc1cc(Nc2nc(Cc3ccccc3NS(C)(=O)=O)nc3nccn23)cc(OC)c1OC
Show InChI InChI=1S/C22H24N6O5S/c1-31-17-12-15(13-18(32-2)20(17)33-3)24-22-26-19(25-21-23-9-10-28(21)22)11-14-7-5-6-8-16(14)27-34(4,29)30/h5-10,12-13,27H,11H2,1-4H3,(H,23,24,25,26)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 840n/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