Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM50181679'   

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
Insulin receptor (Homo sapiens (Human))	BDBM50181679 (5-(2-methyl-benzothiazol-5-yl)-2-oxo-1,2-dihydro-p...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4sc(C)nc4c3)cc2)CC1 Show InChI InChI=1S/C26H27N5O2S/c1-17-28-23-14-19(5-8-24(23)34-17)20-13-22(25(32)27-15-20)26(33)29-21-6-3-18(4-7-21)16-31-11-9-30(2)10-12-31/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,32)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
ChemBridge Research Laboratories and ChemBridge Corporation Curated by ChEMBL					Assay Description Inhibitory activity against IRK				J Med Chem 49: 1006-15 (2006) Article DOI: 10.1021/jm050824x BindingDB Entry DOI: 10.7270/Q2H994T6
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