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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334687
Substrate
n/a
Meas. Tech.
ChEMBL_699052 (CHEMBL1646333)
IC50
3.9±n/a nM
Citation
 Sun, D; Wang, Z; Caille, S; DeGraffenreid, M; Gonzalez-Lopez de Turiso, F; Hungate, R; Jaen, JC; Jiang, B; Julian, LD; Kelly, R; McMinn, DL; Kaizerman, J; Rew, Y; Sudom, A; Tu, H; Ursu, S; Walker, N; Willcockson, M; Yan, X; Ye, Q; Powers, JP Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11ß-HSD1 inhibitors. Bioorg Med Chem Lett 21:405-10 (2010) [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:
BDBM50334687
Synonyms:
CHEMBL1642591 | N-((4S)-4-(2-cyanoethyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C28H31F3N2O2
Mol. Mass.:
484.5531
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.27,(41.95,2.91,;43.28,3.69,;41.79,4.08,;44.62,2.92,;45.95,3.7,;47.29,2.93,;47.28,1.39,;45.96,.61,;44.63,1.37,;48.62,.62,;48.63,-.92,;49.95,1.4,;49.95,2.94,;50.72,4.27,;49.18,4.26,;51.29,.63,;52.62,1.41,;53.95,.63,;53.95,-.91,;55.28,-.13,;56.62,-.89,;57.95,-.11,;59.27,.67,;52.62,-1.67,;51.29,-.91,;54.71,-2.24,;53.93,-3.56,;54.69,-4.89,;56.22,-4.9,;56.99,-3.57,;56.23,-2.25,;43.27,5.23,;44.6,6,;41.93,5.99,;42.87,6.72,)|
Structure:
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