Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195498
Substrate
n/a
Meas. Tech.
ChEMBL_425004 (CHEMBL912529)
Ki
60±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 | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:
Enzyme
Mol. Mass.:
32409.16
Organism:
Homo sapiens (Human)
Description:
P28845
Residue:
292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50195498
Synonyms:
CHEMBL426208 | methyl 2-((1s,4s)-4-(4-amino-3,5-dichloro-N-cyclopropylbenzamido)-N-methylcyclohexanecarboxamido)acetate
Type:
Small organic molecule
Emp. Form.:
C21H27Cl2N3O4
Mol. Mass.:
456.363
SMILES:
COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)|
Structure:
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