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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192793
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
74±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:
BDBM50192793
Synonyms:
3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantan-1-yl}-propionic acid | CHEMBL219028
Type:
Small organic molecule
Emp. Form.:
C23H30ClNO4
Mol. Mass.:
419.942
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)|
Structure:
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