Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50244255'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50244255 (1-(4-(2-(p-toluidino)-2-oxoethoxy)-2,3-dibromo-5-e...) Show SMILES CCOc1cc(C=NNC(N)=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 |w:6.5| Show InChI InChI=1S/C19H20Br2N4O4/c1-3-28-14-8-12(9-23-25-19(22)27)16(20)17(21)18(14)29-10-15(26)24-13-6-4-11(2)5-7-13/h4-9H,3,10H2,1-2H3,(H,24,26)(H3,22,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol				J Med Chem 51: 4188-99 (2008) Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N
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