Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137612'   

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))	BDBM50137612 (5-Ethanesulfonyl-3-[1-{3-[3-(4-propionyl-piperazin...) Show SMILES CCC(=O)N1CCN(CCCc2c(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)CC)[nH]c3CCCCc23)CC1 Show InChI InChI=1S/C29H38N4O4S/c1-3-28(34)33-16-14-32(15-17-33)13-7-9-22-21-8-5-6-10-25(21)30-27(22)19-24-23-18-20(38(36,37)4-2)11-12-26(23)31-29(24)35/h11-12,18-19,30H,3-10,13-17H2,1-2H3,(H,31,35)/b24-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Src protein tryrosine kinase				Bioorg Med Chem Lett 14: 187-90 (2003) BindingDB Entry DOI: 10.7270/Q2HM57VG
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