Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086456'   

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))	BDBM50086456 (CHEMBL3426218 | US10266537, Compound 17) Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C30H34N8O/c1-20(2)38-29-27(28(31)32-19-33-29)26(35-38)12-9-23-17-24(8-5-21(23)3)30(39)34-25-10-6-22(7-11-25)18-37-15-13-36(4)14-16-37/h5-8,10-11,17,19-20H,13-16,18H2,1-4H3,(H,34,39)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	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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