Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50337690'   

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))	BDBM50337690 (1-(2-(4-Heptyl-1H-1,2,3-triazol-1-yl)ethyl)-3-phen...) Show SMILES CCCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1 Show InChI InChI=1S/C22H28N8/c1-2-3-4-5-9-12-18-15-29(28-26-18)13-14-30-22-19(21(23)24-16-25-22)20(27-30)17-10-7-6-8-11-17/h6-8,10-11,15-16H,2-5,9,12-14H2,1H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of GST-fussed c-SRC after 30 mins				Bioorg Med Chem Lett 21: 1342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.047 BindingDB Entry DOI: 10.7270/Q2P84C6B
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