Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137579'   

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))	BDBM50137579 (2-Oxo-3-[1-{3-[3-(4-propionyl-piperazin-1-yl)-prop...) Show SMILES CCC(=O)N1CCN(CCCc2c3CCCCc3[nH]c2\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC)CC1 Show InChI InChI=1S/C28H37N5O4S/c1-3-27(34)33-15-13-32(14-16-33)12-6-8-21-20-7-4-5-9-24(20)30-26(21)18-23-22-17-19(38(36,37)29-2)10-11-25(22)31-28(23)35/h10-11,17-18,29-30H,3-9,12-16H2,1-2H3,(H,31,35)/b23-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	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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