Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1 [410-689]' and Ligand = 'BDBM418610'   

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))	BDBM418610 (N-methyl-4-({4-[({6-methyl-2- [methyl(methylsulfon...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(C)nc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3N7O3S/c1-13-5-6-15(19(29-13)32(3)36(4,34)35)11-27-18-17(22(23,24)25)12-28-21(31-18)30-16-9-7-14(8-10-16)20(33)26-2/h5-10,12H,11H2,1-4H3,(H,26,33)(H2,27,28,30,31)	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	0.590	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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