Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50370341'   

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))	BDBM50370341 (CHEMBL1790810) Show SMILES CC[C@@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC1=O)C(O)=O Show InChI InChI=1S/C24H33N4O12P/c1-3-12(2)20(24(35)36)28-18(29)11-17-23(34)26-16(10-13-4-6-14(7-5-13)40-41(37,38)39)22(33)25-15(21(32)27-17)8-9-19(30)31/h4-7,12,15-17,20H,3,8-11H2,1-2H3,(H,25,33)(H,26,34)(H,27,32)(H,28,29)(H,30,31)(H,35,36)(H2,37,38,39)/t12-,15+,16+,17+,20+/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%				J Med Chem 47: 3131-41 (2004) Article DOI: 10.1021/jm040008+ BindingDB Entry DOI: 10.7270/Q25B0370
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