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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334676
Substrate
n/a
Meas. Tech.
ChEMBL_699054 (CHEMBL1646335)
IC50
129±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:
BDBM50334676
Synonyms:
CHEMBL1642596 | N-((4R)-4-(acetamidomethyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C28H33F3N2O3
Mol. Mass.:
502.5684
SMILES:
CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1 |r,wU:23.26,8.11,wD:23.27,5.32,(9.83,-6.55,;9.44,-8.04,;10.53,-9.12,;7.95,-8.44,;7.56,-9.93,;6.08,-10.34,;6.08,-8.8,;4.75,-8.02,;3.42,-8.8,;3.42,-10.34,;4.75,-11.1,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;.75,-8.81,;.75,-10.35,;-.59,-8.04,;-.59,-6.5,;-1.92,-5.73,;-3.26,-6.51,;-3.25,-8.06,;-1.91,-8.82,;-4.59,-5.74,;-5.93,-6.52,;-6.09,-5.35,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.34,-14.33,;9.12,-13,;8.36,-11.68,)|
Structure:
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