Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50060736'   

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))	BDBM50060736 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCC1CCCCC1 Show InChI InChI=1S/C25H38N3O9P/c1-17(29)27-22(16-19-9-11-20(12-10-19)37-38(34,35)36)25(33)28-21(13-14-23(30)31)24(32)26-15-5-8-18-6-3-2-4-7-18/h9-12,18,21-22H,2-8,13-16H2,1H3,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H2,34,35,36)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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
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