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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50243671
Substrate
n/a
Meas. Tech.
ChEMBL_487342 (CHEMBL1021868)
IC50
6.6±n/a nM
Citation
 Julian, LD; Wang, Z; Bostick, T; Caille, S; Choi, R; DeGraffenreid, M; Di, Y; He, X; Hungate, RW; Jaen, JC; Liu, J; Monshouwer, M; McMinn, D; Rew, Y; Sudom, A; Sun, D; Tu, H; Ursu, S; Walker, N; Yan, X; Ye, Q; Powers, JP Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model. J Med Chem 51:3953-60 (2008) [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:
BDBM50243671
Synonyms:
(S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide | CHEMBL471930
Type:
Small organic molecule
Emp. Form.:
C19H23F4NO2
Mol. Mass.:
373.385
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.20,(9.71,-.15,;10.47,1.19,;9.13,1.96,;11.8,.42,;11.8,-1.12,;13.14,-1.9,;14.47,-1.12,;14.47,.43,;13.13,1.19,;15.81,-1.89,;15.81,-3.43,;17.14,-1.12,;17.14,.42,;17.9,1.76,;16.36,1.75,;18.48,-1.89,;19.8,-1.12,;21.14,-1.89,;21.13,-3.43,;22.46,-4.2,;19.8,-4.2,;18.47,-3.43,;11.24,2.52,;12,3.87,;12.58,1.76,;9.9,3.29,)|
Structure:
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