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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50399352
Substrate
n/a
Meas. Tech.
ChEMBL_877632 (CHEMBL2184996)
IC50
6±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:
BDBM50399352
Synonyms:
CHEMBL2177616
Type:
Small organic molecule
Emp. Form.:
C24H29N3O4S
Mol. Mass.:
455.57
SMILES:
CCCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:20:21:31.27.28:25.24.23,20:21:23:31.28.30,29:28:21.26.25:23,THB:27:26:23:31.28.30,27:28:21.26.25:23,30:28:21:25.24.23,30:24:21:31.27.28,29:28:21:25.24.23,(58.75,-15.24,;57.22,-15.4,;56.32,-14.15,;56.94,-12.74,;56.04,-11.5,;56.52,-10.03,;55.27,-9.12,;54.03,-10.03,;54.5,-11.5,;53.59,-12.74,;52.06,-12.57,;51.15,-13.81,;51.78,-15.22,;53.32,-15.38,;54.22,-14.14,;50.87,-16.47,;49.34,-16.31,;51.5,-17.88,;57.98,-9.56,;58.31,-8.05,;59.13,-10.59,;60.59,-10.12,;61.79,-8.84,;61.78,-7.36,;63.13,-6.88,;62.09,-8.11,;62.09,-9.7,;63.5,-10.26,;64.51,-8.98,;66.05,-8.92,;64.52,-7.46,;63.12,-9.33,)|
Structure:
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