Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086452'   

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))	BDBM50086452 (CHEMBL3426221) Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCOCC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H30F3N7O2/c1-18(2)40-28-26(27(34)35-17-36-28)25(38-40)9-7-20-14-21(5-4-19(20)3)29(41)37-23-8-6-22(24(15-23)30(31,32)33)16-39-10-12-42-13-11-39/h4-6,8,14-15,17-18H,10-13,16H2,1-3H3,(H,37,41)(H2,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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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