Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1 [410-689]' and Ligand = 'BDBM418840'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Focal adhesion kinase 1 [410-689] (Homo sapiens (Human))	BDBM418840 (2-methyl-4-{[4-({3- [methyl(methylsulfonyl)amino]b...) Show SMILES CN(c1cccc(CNc2nc(Nc3ccc(C(N)=O)c(C)c3)ncc2C(F)(F)F)c1)S(C)(=O)=O Show InChI InChI=1S/C22H23F3N6O3S/c1-13-9-15(7-8-17(13)19(26)32)29-21-28-12-18(22(23,24)25)20(30-21)27-11-14-5-4-6-16(10-14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H2,26,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.595	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2T72KQP
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