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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50243633
Substrate
n/a
Meas. Tech.
ChEMBL_487344 (CHEMBL1021870)
IC50
155±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
More Info.:
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:
BDBM50243633
Synonyms:
(S)-N-(trans-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide | CHEMBL469699 | N-cyclopropyl-N-((1r,4S)-4-phenylcyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C25H28F3NO2
Mol. Mass.:
431.4905
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-6.04,-22.98,;-5.28,-21.65,;-6.62,-20.88,;-3.95,-22.42,;-3.95,-23.96,;-2.61,-24.73,;-1.28,-23.96,;-1.28,-22.41,;-2.62,-21.64,;.06,-24.73,;.06,-26.27,;1.39,-23.95,;1.39,-22.41,;2.15,-21.08,;.61,-21.08,;2.73,-24.72,;4.05,-23.95,;5.39,-24.73,;5.38,-26.27,;4.05,-27.04,;2.72,-26.27,;6.71,-27.04,;6.7,-28.58,;8.03,-29.35,;9.37,-28.58,;9.37,-27.04,;8.04,-26.27,;-4.51,-20.31,;-3.75,-18.97,;-3.17,-21.08,;-5.85,-19.55,)|