Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM50296350'   

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))	BDBM50296350 ((S)-3-(4-(2-(4-(2-(2-chlorophenyl)-2-hydroxyethyla...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2ccccc2Cl)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r| Show InChI InChI=1S/C28H30ClN7O2/c1-18-15-19(36-13-11-35(12-14-36)10-4-8-30)16-23-26(18)34-27(33-23)25-22(7-9-31-28(25)38)32-17-24(37)20-5-2-3-6-21(20)29/h2-3,5-7,9,15-16,24,37H,4,10-14,17H2,1H3,(H,33,34)(H2,31,32,38)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of insulin receptor				J Med Chem 52: 4981-5004 (2010) Article DOI: 10.1021/jm9002395 BindingDB Entry DOI: 10.7270/Q2P84CTD
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