Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195481
Substrate
n/a
Meas. Tech.
ChEMBL_425005 (CHEMBL912530)
Ki
4±n/a nM
Citation
 Richards, S; Sorensen, B; Jae, HS; Winn, M; Chen, Y; Wang, J; Fung, S; Monzon, K; Frevert, EU; Jacobson, P; Sham, H; Link, JT Discovery of potent and selective inhibitors of 11beta-HSD1 for the treatment of metabolic syndrome. Bioorg Med Chem Lett 16:6241-5 (2006) [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 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_RAT | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
31889.48
Organism:
Rattus norvegicus (rat)
Description:
P16232
Residue:
288
Sequence:
MKKYLLPVLVLCLGYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMAFAERFVVEAGKLLGGLDMLILNHITQTTMSLFHDDIHSVRRSMEVNFLSYVVLSTAALPMLKQSNGSIAIISSMAGKMTQPLIASYSASKFALDGFFSTIRKEHLMTKVNVSITLCVLGFIDTETALKETSGIILSQAAPKEECALEIIKGTVLRKDEVYYDKSSWTPLLLGNPGRRIMEFLSLRSYNRDLFVSN
  
Inhibitor
Name:
BDBM50195481
Synonyms:
(1s,4s)-ethyl 4-(4-amino-3,5-dichloro-N-cyclopropylbenzamido)cyclohexanecarboxylate | CHEMBL376256
Type:
Small organic molecule
Emp. Form.:
C19H24Cl2N2O3
Mol. Mass.:
399.311
SMILES:
CCOC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.11,5.4,(3.32,-20.85,;4.65,-20.08,;5.98,-20.86,;7.32,-20.09,;8.65,-20.86,;7.32,-18.55,;8.66,-17.78,;8.67,-16.24,;7.33,-15.47,;6,-16.24,;5.99,-17.77,;7.33,-13.93,;6,-13.16,;5.23,-11.83,;4.46,-13.16,;8.67,-13.16,;8.67,-11.62,;10,-13.93,;11.33,-13.16,;12.66,-13.92,;13.99,-13.15,;12.67,-15.47,;14,-16.24,;11.33,-16.25,;11.33,-17.79,;10,-15.47,)|
Structure:
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