Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50317224
Substrate
n/a
Meas. Tech.
ChEMBL_631345 (CHEMBL1105682)
Ki
16±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:
BDBM50317224
Synonyms:
(2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide | CHEMBL1095786
Type:
Small organic molecule
Emp. Form.:
C21H34N2O2
Mol. Mass.:
346.5069
SMILES:
O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)|
Structure:
Search PDB for entries with ligand similarity: