Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195502
Substrate
n/a
Meas. Tech.
ChEMBL_425005 (CHEMBL912530)
Ki
68±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:
Rat
Description:
P16232
Residue:
288
Sequence:
MKKYLLPVLVLCLGYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMAFAERFVVEAGKLLGGLDMLILNHITQTTMSLFHDDIHSVRRSMEVNFLSYVVLSTAALPMLKQSNGSIAIISSMAGKMTQPLIASYSASKFALDGFFSTIRKEHLMTKVNVSITLCVLGFIDTETALKETSGIILSQAAPKEECALEIIKGTVLRKDEVYYDKSSWTPLLLGNPGRRIMEFLSLRSYNRDLFVSN
  
Inhibitor
Name:
BDBM50195502
Synonyms:
CHEMBL221261 | N-((1s,4s)-4-((cyclohexylmethyl)carbamoyl)cyclohexyl)-4-amino-3,5-dichloro-N-cyclopropylbenzamide
Type:
Small organic molecule
Emp. Form.:
C24H33Cl2N3O2
Mol. Mass.:
466.444
SMILES:
Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC1CCCCC1 |wU:18.23,15.16,(.04,-25.21,;-1.3,-24.44,;-1.31,-22.89,;.03,-22.12,;-2.64,-22.13,;-3.97,-22.9,;-3.97,-24.44,;-2.64,-25.21,;-2.64,-26.75,;-5.3,-22.13,;-5.3,-20.59,;-6.64,-22.9,;-7.97,-22.13,;-8.74,-20.79,;-9.51,-22.13,;-6.64,-24.44,;-5.3,-25.21,;-5.31,-26.75,;-6.64,-27.52,;-7.97,-26.74,;-7.97,-25.21,;-6.65,-29.06,;-7.99,-29.82,;-5.32,-29.83,;-5.32,-31.37,;-3.99,-32.15,;-4.01,-33.69,;-2.68,-34.46,;-1.34,-33.7,;-1.34,-32.15,;-2.67,-31.38,)|
Structure:
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