Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137596'   

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))	BDBM50137596 (3-[1-[3-(3-Dimethylamino-propyl)-4,5,6,7-tetrahydr...) Show SMILES CCS(=O)(=O)Cc1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN(C)C)c2c1 Show InChI InChI=1S/C25H33N3O3S/c1-4-32(30,31)16-17-11-12-23-20(14-17)21(25(29)27-23)15-24-19(9-7-13-28(2)3)18-8-5-6-10-22(18)26-24/h11-12,14-15,26H,4-10,13,16H2,1-3H3,(H,27,29)/b21-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	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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