Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192794
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
519±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:
BDBM50192794
Synonyms:
CHEMBL216977 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-methyl-2-[5-(4-methyl-piperazin-1-yl)-pyridin-2-yloxy]-propionamide
Type:
Small organic molecule
Emp. Form.:
C26H39N5O3
Mol. Mass.:
469.6196
SMILES:
CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)|
Structure:
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