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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448701
Substrate
n/a
Meas. Tech.
ChEMBL_1297893 (CHEMBL3132106)
IC50
10.0±n/a nM
Citation
 Goldberg, FW; Dossetter, AG; Scott, JS; Robb, GR; Boyd, S; Groombridge, SD; Kemmitt, PD; Sjögren, T; Gutierrez, PM; deSchoolmeester, J; Swales, JG; Turnbull, AV; Wild, MJ Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem 57:970-86 (2014) [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:
BDBM50448701
Synonyms:
CHEMBL3127861
Type:
Small organic molecule
Emp. Form.:
C20H28N2O3S
Mol. Mass.:
376.513
SMILES:
CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)|
Structure:
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