Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50074712'   

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))	BDBM50074712 (CHEMBL177372 | Phosphoric acid mono-[4-((5R,8S,11R...) Show SMILES CC(C)[C@H]1NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)CCCCCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C Show InChI InChI=1S/C35H54N7O11P/c1-20(2)29-34(48)39-25(19-27(36)43)32(46)41-30(21(3)4)35(49)42-17-9-10-26(42)33(47)37-16-8-6-5-7-11-28(44)38-24(31(45)40-29)18-22-12-14-23(15-13-22)53-54(50,51)52/h12-15,20-21,24-26,29-30H,5-11,16-19H2,1-4H3,(H2,36,43)(H,37,47)(H,38,44)(H,39,48)(H,40,45)(H,41,46)(H2,50,51,52)/t24-,25-,26-,29+,30+/m0/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against binding of Src protein tryrosine kinase SH2 domain to biotinylated EPQY*EEIPI Peptide by ELISA.				J Med Chem 42: 971-80 (1999) Article DOI: 10.1021/jm9811007 BindingDB Entry DOI: 10.7270/Q28S4P35
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