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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192786
Substrate
n/a
Meas. Tech.
ChEMBL_422288 (CHEMBL906988)
IC50
444±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 | 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:
BDBM50192786
Synonyms:
CHEMBL216976 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-methyl-2-(5-morphlin-4-yl-pyridin-2-yloxy)-propionamide
Type:
Small organic molecule
Emp. Form.:
C25H36N4O4
Mol. Mass.:
456.5777
SMILES:
CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)|
Structure:
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