Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50317226
Substrate
n/a
Meas. Tech.
ChEMBL_631345 (CHEMBL1105682)
Ki
48±n/a nM
Citation
 Cheng, H; Hoffman, J; Le, P; Nair, SK; Cripps, S; Matthews, J; Smith, C; Yang, M; Kupchinsky, S; Dress, K; Edwards, M; Cole, B; Walters, E; Loh, C; Ermolieff, J; Fanjul, A; Bhat, GB; Herrera, J; Pauly, T; Hosea, N; Paderes, G; Rejto, P The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 20:2897-902 (2010) [PubMed]  Article
Target
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 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
  
Inhibitor
Name:
BDBM50317226
Synonyms:
(2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide | CHEMBL1096451
Type:
Small organic molecule
Emp. Form.:
C22H36N2O2
Mol. Mass.:
360.5334
SMILES:
OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(-3.5,-9.88,;-3.33,-8.35,;-4.87,-8.34,;-5.77,-9.59,;-7.3,-9.61,;-7.77,-11.07,;-6.53,-11.97,;-5.31,-10.99,;-3.8,-11.51,;-2.45,-10.75,;-3.83,-13.05,;-5.18,-13.79,;-5.19,-15.33,;-6.59,-15.69,;-7.93,-15.19,;-9.13,-16.47,;-7.62,-16.05,;-6.2,-16.61,;-7.63,-14.46,;-6.58,-13.21,;-7.94,-13.7,;-2.01,-9.12,;-.66,-8.36,;-.66,-6.82,;-1.99,-6.04,;-3.32,-6.81,)|
Structure:
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