Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448719
Substrate
n/a
Meas. Tech.
ChEMBL_1297893 (CHEMBL3132106)
IC50
14±n/a nM
Citation
 Goldberg, FW; Dossetter, AG; Scott, JS; Robb, GR; Boyd, S; Groombridge, SD; Kemmitt, PD; Sjögren, T; Gutierrez, PM; deSchoolmeester, J; Swales, JG; Turnbull, AV; Wild, MJ Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem 57:970-86 (2014) [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:
BDBM50448719
Synonyms:
CHEMBL3124970
Type:
Small organic molecule
Emp. Form.:
C18H26N2O2S2
Mol. Mass.:
366.541
SMILES:
CCCSc1nc(C)sc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.22,wD:13.13,TLB:12:13:17:19.20.22,23:20:13.14.15:17,THB:23:14:17:19.20.22,22:20:13:15.16.17,22:16:13:19.23.20,21:20:13:15.16.17,21:20:13.14.15:17,(43.22,-44.14,;41.69,-44.28,;40.8,-43.02,;39.27,-43.16,;38.38,-41.9,;36.84,-41.87,;36.39,-40.4,;34.94,-39.9,;37.65,-39.52,;38.88,-40.44,;40.21,-39.66,;40.21,-38.12,;41.55,-40.43,;42.88,-39.65,;44.38,-39.27,;44.4,-37.68,;45.47,-36.46,;44.11,-36.91,;44.1,-38.4,;45.41,-38.92,;46.82,-38.59,;48.36,-38.56,;46.86,-37.06,;45.78,-39.85,)|
Structure:
Search PDB for entries with ligand similarity: