Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM4565'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4565 (4-Phenylamino-3-quinolinecarbonitrile deriv. 31n |...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN(C)CCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H31Cl2N5O3/c1-32(2)8-9-33(3)7-6-10-36-25-13-21-18(11-24(25)35-5)26(17(15-29)16-30-21)31-22-14-23(34-4)20(28)12-19(22)27/h11-14,16H,6-10H2,1-5H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research					Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...				J Med Chem 44: 3965-77 (2001) Article DOI: 10.1021/jm0102250 BindingDB Entry DOI: 10.7270/Q2TD9VHP
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