Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137608'   

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))	BDBM50137608 (3-[1-[3-(3-Dimethylamino-propyl)-4,5,6,7-tetrahydr...) Show SMILES CN(C)CCCc1c(\C=C2/C(=O)Nc3ccc(cc23)-c2ccccc2)[nH]c2CCCCc12 Show InChI InChI=1S/C28H31N3O/c1-31(2)16-8-12-22-21-11-6-7-13-25(21)29-27(22)18-24-23-17-20(19-9-4-3-5-10-19)14-15-26(23)30-28(24)32/h3-5,9-10,14-15,17-18,29H,6-8,11-13,16H2,1-2H3,(H,30,32)/b24-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	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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