Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137599'   

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))	BDBM50137599 (3-[1-[3-(3-Dimethylamino-propyl)-4,5,6,7-tetrahydr...) Show SMILES CN(C)CCCc1c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)N(C)C)[nH]c2CCCCc12 Show InChI InChI=1S/C24H32N4O3S/c1-27(2)13-7-9-18-17-8-5-6-10-21(17)25-23(18)15-20-19-14-16(32(30,31)28(3)4)11-12-22(19)26-24(20)29/h11-12,14-15,25H,5-10,13H2,1-4H3,(H,26,29)/b20-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+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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