Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195290
Substrate
n/a
Meas. Tech.
ChEMBL_424847 (CHEMBL907397)
Ki
180±n/a nM
Citation
 Sorensen, B; Rohde, J; Wang, J; Fung, S; Monzon, K; Chiou, W; Pan, L; Deng, X; Stolarik, D; Frevert, EU; Jacobson, P; Link, JT Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction. Bioorg Med Chem Lett 16:5958-62 (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:
BDBM50195290
Synonyms:
4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionylamino}-adamantane-1-carboxylic acid | CHEMBL376695
Type:
Small organic molecule
Emp. Form.:
C25H33F3N4O3
Mol. Mass.:
494.5497
SMILES:
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:25.27,29.36,TLB:21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(21.86,-6.75,;20.53,-7.53,;19.71,-6.23,;21.34,-8.84,;20.6,-10.2,;21.41,-11.5,;22.95,-11.46,;23.68,-10.1,;22.87,-8.78,;23.76,-12.76,;23.02,-14.12,;23.82,-15.42,;25.37,-15.38,;26.1,-14.03,;25.29,-12.71,;26.17,-16.7,;26.93,-18.02,;27.49,-15.91,;24.83,-17.45,;19.24,-8.38,;19.34,-9.92,;17.86,-7.7,;16.58,-8.55,;16.57,-10.08,;15.56,-11.35,;14.15,-10.79,;14.15,-9.2,;15.18,-7.97,;13.84,-8.45,;13.85,-9.93,;12.65,-11.21,;15.17,-10.42,;12.3,-9.92,;11.53,-11.25,;11.54,-8.59,)|
Structure:
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