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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50399351
Substrate
n/a
Meas. Tech.
ChEMBL_877632 (CHEMBL2184996)
IC50
5±n/a nM
Citation
 Scott, JS; deSchoolmeester, J; Kilgour, E; Mayers, RM; Packer, MJ; Hargreaves, D; Gerhardt, S; Ogg, DJ; Rees, A; Selmi, N; Stocker, A; Swales, JG; Whittamore, PR Novel acidic 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J Med Chem 55:10136-47 (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:
BDBM50399351
Synonyms:
CHEMBL2177617
Type:
Small organic molecule
Emp. Form.:
C25H31N3O4S
Mol. Mass.:
469.596
SMILES:
CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)OC |r,wU:21.22,wD:28.35,TLB:20:21:30.27.28:25.24.23,20:21:23:30.28.29,31:28:21.26.25:23,THB:27:26:23:30.28.29,27:28:21.26.25:23,29:28:21:25.24.23,29:24:21:30.27.28,31:28:21:25.24.23,(6.35,-29.86,;4.82,-30.02,;3.92,-28.78,;4.54,-27.37,;3.64,-26.12,;4.12,-24.66,;2.87,-23.75,;1.63,-24.66,;2.1,-26.12,;1.19,-27.37,;-.35,-27.2,;-1.26,-28.44,;-.62,-29.85,;.92,-30.01,;1.82,-28.76,;-1.54,-31.1,;-3.07,-30.94,;-.9,-32.51,;5.58,-24.19,;5.91,-22.68,;6.73,-25.22,;8.19,-24.75,;9.39,-23.47,;9.38,-21.98,;10.73,-21.51,;9.69,-22.73,;9.69,-24.32,;11.1,-24.89,;12.11,-23.61,;12.12,-22.08,;10.72,-23.96,;13.65,-23.55,;14.47,-24.85,)|
Structure:
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