Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137589'   

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))	BDBM50137589 (3-[1-{3-[3-(4-Acetyl-piperazin-1-yl)-propyl]-4,5,6...) Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C28H36N4O4S/c1-3-37(35,36)20-10-11-26-23(17-20)24(28(34)30-26)18-27-22(21-7-4-5-9-25(21)29-27)8-6-12-31-13-15-32(16-14-31)19(2)33/h10-11,17-18,29H,3-9,12-16H2,1-2H3,(H,30,34)/b24-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	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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