Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50018806
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1362859
IC50 22±n/a nM
Citation Gillespie PPietranico-Cole SMyers MBilotta JAConde-Knape KFotouhi NGoodnow RAGuertin KRHamilton MMHaynes NELiu BQi LRen YScott NRSo SSSpence CTaub RThakkar KTilley JWZwingelstein C Discovery of camphor-derived pyrazolones as 11-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett 24:2707-11 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
11-beta-hydroxysteroid dehydrogenase 1
Name:11-beta-hydroxysteroid dehydrogenase 1
Synonyms:11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1)
Type:Enzyme
Mol. Mass.:32409.16
Organism:Homo sapiens (Human)
Description:P28845
Residue:292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAH
VVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNH
ITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMV
AAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEE
CALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50018806
n/a
NameBDBM50018806
Synonyms:CHEMBL3291343
TypeSmall organic molecule
Emp. Form.C20H23FN2O
Mol. Mass.326.4078
SMILES[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1F)n3CC=C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;14.55,-6.83,;16.96,-8.3,;16.48,-6.83,;17.51,-5.68,;17.04,-4.21,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: