Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50392226
Substrate
n/a
Meas. Tech.
ChEMBL_852659 (CHEMBL2156374)
IC50
>30000±n/a nM
Citation
 Scott, JS; Bowker, SS; Deschoolmeester, J; Gerhardt, S; Hargreaves, D; Kilgour, E; Lloyd, A; Mayers, RM; McCoull, W; Newcombe, NJ; Ogg, D; Packer, MJ; Rees, A; Revill, J; Schofield, P; Selmi, N; Swales, JG; Whittamore, PR Discovery of a potent, selective, and orally bioavailable acidic 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). J Med Chem 55:5951-64 (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:
BDBM50392226
Synonyms:
CHEMBL2153182
Type:
Small organic molecule
Emp. Form.:
C16H22N2O3S
Mol. Mass.:
322.422
SMILES:
CCCSc1ncccc1C(=O)N[C@H]1CC[C@H](CC1)C(O)=O |r,wU:13.13,16.20,(11.48,-32.46,;10.15,-33.23,;8.82,-32.46,;8.82,-30.92,;7.48,-30.15,;6.14,-30.93,;4.81,-30.16,;4.81,-28.61,;6.14,-27.84,;7.48,-28.6,;8.81,-27.83,;8.8,-26.29,;10.14,-28.59,;11.47,-27.82,;11.47,-26.29,;12.81,-25.52,;14.14,-26.29,;14.14,-27.83,;12.81,-28.59,;15.48,-25.51,;16.82,-26.28,;15.48,-23.97,)|
Structure:
Search PDB for entries with ligand similarity: