BDBM50244290 2-(2-bromo-6-ethoxy-4-((3-mercapto-5-methyl-4H-pyrazol-4-ylamino)methyl)phenoxy)-N-cyclohexylacetamide::CHEMBL469911

SMILES: CCOc1cc(CNc2c(C)[nH][nH]c2=S)cc(Br)c1OCC(=O)NC1CCCCC1

InChI Key: InChIKey=HLUPWKKPKKHUKU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244290   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50244290 (2-(2-bromo-6-ethoxy-4-((3-mercapto-5-methyl-4H-pyr...) Show SMILES CCOc1cc(CNc2c(C)[nH][nH]c2=S)cc(Br)c1OCC(=O)NC1CCCCC1 Show InChI InChI=1S/C21H29BrN4O3S/c1-3-28-17-10-14(11-23-19-13(2)25-26-21(19)30)9-16(22)20(17)29-12-18(27)24-15-7-5-4-6-8-15/h9-10,15,23H,3-8,11-12H2,1-2H3,(H,24,27)(H2,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	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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