Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137603'   

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))	BDBM50137603 (3-[1-{3-[3-(4-Methyl-piperazin-1-yl)-3-oxo-propyl]...) Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H33N5O4S/c1-27-36(34,35)17-7-9-23-20(15-17)21(26(33)29-23)16-24-19(18-5-3-4-6-22(18)28-24)8-10-25(32)31-13-11-30(2)12-14-31/h7,9,15-16,27-28H,3-6,8,10-14H2,1-2H3,(H,29,33)/b21-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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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