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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334672
Substrate
n/a
Meas. Tech.
ChEMBL_699055 (CHEMBL1646336)
IC50
15±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:
BDBM50334672
Synonyms:
CHEMBL1642589 | N-cyclopropyl-N-((4S)-4-(2-hydroxyethyl)-4-phenylcyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C27H32F3NO3
Mol. Mass.:
475.5431
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(6.46,2.51,;7.79,3.29,;6.3,3.68,;9.13,2.52,;10.46,3.3,;11.8,2.53,;11.8,.99,;10.48,.21,;9.14,.97,;13.13,.23,;13.14,-1.32,;14.47,1,;14.46,2.54,;15.23,3.87,;13.69,3.87,;15.8,.23,;17.13,1.01,;18.47,.23,;18.47,-1.31,;19.79,-.53,;21.13,-1.29,;22.46,-.51,;17.13,-2.07,;15.8,-1.31,;19.22,-2.64,;18.44,-3.96,;19.2,-5.29,;20.73,-5.3,;21.51,-3.97,;20.75,-2.65,;7.79,4.83,;9.12,5.61,;6.45,5.6,;7.38,6.32,)|
Structure:
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