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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50399340
Substrate
n/a
Meas. Tech.
ChEMBL_877632 (CHEMBL2184996)
IC50
21±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:
BDBM50399340
Synonyms:
CHEMBL2177604
Type:
Small organic molecule
Emp. Form.:
C24H27N3O3
Mol. Mass.:
405.4895
SMILES:
OC(=O)c1ccc(cc1)-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C1CC1 |TLB:15:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:15:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(-2.53,-10.16,;-1,-10.32,;-.37,-11.73,;-.09,-9.07,;-.72,-7.66,;.2,-6.42,;1.73,-6.59,;2.35,-7.98,;1.46,-9.23,;2.64,-5.34,;2.17,-3.88,;3.41,-2.97,;4.66,-3.88,;6.12,-3.41,;6.44,-1.9,;7.26,-4.44,;8.73,-3.96,;9.93,-2.69,;11.25,-3.18,;12.65,-2.83,;12.66,-1.3,;11.26,-.72,;9.92,-1.2,;10.23,-1.95,;10.23,-3.54,;11.64,-4.11,;4.18,-5.34,;5.08,-6.59,;5.23,-8.13,;6.48,-7.23,)|
Structure:
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