Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086444'   

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))	BDBM50086444 (CHEMBL3426230 | US10266537, Compound 20) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn([C@@H]4CCOC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C32H33F3N8O2/c1-20-3-4-22(15-21(20)6-8-27-28-29(36)37-19-38-30(28)43(40-27)25-9-14-45-18-25)31(44)39-24-7-5-23(26(16-24)32(33,34)35)17-42-12-10-41(2)11-13-42/h3-5,7,15-16,19,25H,9-14,17-18H2,1-2H3,(H,39,44)(H2,36,37,38)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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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