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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50400140
Substrate
n/a
Meas. Tech.
ChEMBL_878466 (CHEMBL2187380)
IC50
94±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:
BDBM50400140
Synonyms:
CHEMBL2179448
Type:
Small organic molecule
Emp. Form.:
C22H32N4O3
Mol. Mass.:
400.5145
SMILES:
CC(C)(CO)Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:13.12,wD:20.21,TLB:21:20:13:17.16.15,12:13:23.19.20:17.16.15,12:13:15:23.20.22,THB:21:20:13.18.17:15,22:20:13:17.16.15,22:16:13:23.19.20,19:18:15:23.20.22,19:20:13.18.17:15,(65.64,-8.07,;66.42,-9.41,;66.82,-7.92,;65.09,-10.18,;63.76,-9.41,;67.76,-10.18,;69.09,-9.42,;69.09,-7.87,;70.42,-7.1,;71.76,-7.86,;73.09,-7.09,;73.08,-5.55,;74.42,-7.85,;75.75,-7.08,;75.75,-5.34,;74.71,-4.26,;75.36,-2.99,;75.39,-4.43,;76.55,-5.75,;77.97,-5.19,;77.82,-3.56,;79.36,-3.58,;76.78,-2.44,;77.05,-4.78,;71.76,-9.41,;70.42,-10.19,;73.1,-10.18,;73.87,-11.52,;74.64,-10.18,)|
Structure:
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