Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195493
Substrate
n/a
Meas. Tech.
ChEMBL_425005 (CHEMBL912530)
Ki
9±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:
BDBM50195493
Synonyms:
4-amino-3,5-dichloro-N-cyclopropyl-N-((1s,4s)-4-(1-methylpiperazine-4-carbonyl)cyclohexyl)benzamide | CHEMBL219784
Type:
Small organic molecule
Emp. Form.:
C22H30Cl2N4O2
Mol. Mass.:
453.405
SMILES:
CN1CCN(CC1)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.9,12.16,(13.22,-48.19,;11.89,-47.41,;10.55,-48.17,;9.23,-47.4,;9.24,-45.86,;10.57,-45.09,;11.9,-45.87,;7.91,-45.09,;6.57,-45.85,;7.92,-43.55,;9.25,-42.78,;9.26,-41.24,;7.92,-40.47,;6.59,-41.24,;6.59,-42.77,;7.92,-38.93,;6.59,-38.16,;5.82,-36.82,;5.05,-38.16,;9.26,-38.16,;9.26,-36.62,;10.59,-38.93,;11.92,-38.16,;13.25,-38.92,;14.59,-38.15,;13.26,-40.47,;14.6,-41.24,;11.92,-41.24,;11.92,-42.78,;10.59,-40.47,)|
Structure:
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