Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192801
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
92±n/a nM
Citation
 Yeh, VS; Patel, JR; Yong, H; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Beno, D; Brune, M; Jacobson, P; Sham, H; Link, JT Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16:5414-9 (2006) [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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
  
Inhibitor
Name:
BDBM50192801
Synonyms:
CHEMBL220414 | {(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantan-1-yl}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C22H28ClNO4
Mol. Mass.:
405.915
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)|
Structure:
Search PDB for entries with ligand similarity: