Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50291653'   

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))	BDBM50291653 (4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1cccc2ccccc12 Show InChI InChI=1S/C28H32N3O9P/c1-18(32)30-25(17-19-9-11-22(12-10-19)40-41(37,38)39)28(36)31-24(13-14-26(33)34)27(35)29-16-15-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,24-25H,13-17H2,1H3,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H2,37,38,39)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.				Bioorg Med Chem Lett 7: 1107-1112 (1997) Article DOI: 10.1016/S0960-894X(97)00190-X BindingDB Entry DOI: 10.7270/Q24F1QR8
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