Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086584'   

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))	BDBM50086584 (CHEMBL3426236 | US10266537, Compound 10) Show SMILES CCc1ccc(cc1C#Cc1nn(CC)c2ncnc(N)c12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H33F3N8O/c1-4-20-6-7-22(16-21(20)9-11-26-27-28(35)36-19-37-29(27)42(5-2)39-26)30(43)38-24-10-8-23(25(17-24)31(32,33)34)18-41-14-12-40(3)13-15-41/h6-8,10,16-17,19H,4-5,12-15,18H2,1-3H3,(H,38,43)(H2,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human Src				J Med Chem 58: 3957-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00270 BindingDB Entry DOI: 10.7270/Q2J38V91
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