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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50400175
Substrate
n/a
Meas. Tech.
ChEMBL_878466 (CHEMBL2187380)
IC50
23±n/a nM
Citation
 Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem 55:10652-61 (2012) [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:
BDBM50400175
Synonyms:
CHEMBL2179018
Type:
Small organic molecule
Emp. Form.:
C25H36N4O3
Mol. Mass.:
440.5783
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(33.54,-50.69,;32.01,-50.68,;30.97,-49.56,;29.55,-50.1,;28.9,-51.37,;29.93,-52.45,;31.23,-51.89,;29.94,-54.19,;28.61,-54.97,;27.27,-54.2,;27.27,-52.66,;25.94,-54.98,;24.61,-54.22,;23.28,-54.99,;23.28,-56.53,;21.94,-57.3,;20.61,-56.53,;20.62,-54.99,;19.29,-54.22,;17.95,-54.98,;17.95,-56.52,;19.28,-57.3,;24.61,-57.3,;25.95,-56.53,;27.28,-57.3,;27.45,-58.82,;28.95,-59.14,;29.72,-57.81,;28.69,-56.66,;30.74,-52.87,;29.57,-51.54,;32.15,-52.3,)|
Structure:
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