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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 = 'BDBM50184041'   
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))
BDBM50184041
PNG
(7-(3-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(F)(F)F)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3N4O3/c1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-7-8-29(20(13)28-21)16-6-4-5-14(9-16)22(23,24)25/h4-12H,1-3H3,(H,26,27,28)
PDB
MMDB

NCI pathway
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Patents


Similars

Article
PubMed
n/an/a 235n/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