Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50060738'   

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))	BDBM50060738 (2-[2-(4-Carboxy-2-{4-carboxy-2-[(R)-3-carboxy-2-(4...) Show SMILES CCC(C)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C32H45N4O18P/c1-3-16(2)27(31(48)35-22(32(49)50)10-13-25(41)42)36-30(47)21(9-12-24(39)40)34-29(46)20(8-11-23(37)38)33-28(45)18(15-26(43)44)14-17-4-6-19(7-5-17)54-55(51,52)53/h4-7,16,18,20-22,27H,3,8-15H2,1-2H3,(H,33,45)(H,34,46)(H,35,48)(H,36,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16?,18-,20?,21?,22?,27?/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	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-phosphopeptide binding to Src SH2 domain.				J Med Chem 40: 3719-25 (1997) Article DOI: 10.1021/jm970402q BindingDB Entry DOI: 10.7270/Q2D21WQK
					More data for this Ligand-Target Pair