Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086443'   

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))	BDBM50086443 (CHEMBL3426232) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCNCC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C33H36F3N9O/c1-21-3-4-23(32(46)41-25-7-5-24(27(18-25)33(34,35)36)19-44-15-13-43(2)14-16-44)17-22(21)6-8-28-29-30(37)39-20-40-31(29)45(42-28)26-9-11-38-12-10-26/h3-5,7,17-18,20,26,38H,9-16,19H2,1-2H3,(H,41,46)(H2,37,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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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