Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50513276'   

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 (Homo sapiens (Human))	BDBM50513276 (CHEMBL4469292) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1Cl Show InChI InChI=1S/C28H33ClN8O2S2/c1-30-25(38)21-6-4-5-7-23(21)33-24-22(29)18-31-27(34-24)32-20-10-8-19(9-11-20)26(39)36-12-14-37(15-13-36)28(40)41-17-16-35(2)3/h4-11,18H,12-17H2,1-3H3,(H,30,38)(H2,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...				Eur J Med Chem 177: 32-46 (2019) Article DOI: 10.1016/j.ejmech.2019.05.048 BindingDB Entry DOI: 10.7270/Q2XS5ZQT
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