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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50202100
Substrate
n/a
Meas. Tech.
ChEMBL_423354 (CHEMBL909895)
Ki
12±n/a nM
Citation
 Rohde, JJ; Pliushchev, MA; Sorensen, BK; Wodka, D; Shuai, Q; Wang, J; Fung, S; Monzon, KM; Chiou, WJ; Pan, L; Deng, X; Chovan, LE; Ramaiya, A; Mullally, M; Henry, RF; Stolarik, DF; Imade, HM; Marsh, KC; Beno, DW; Fey, TA; Droz, BA; Brune, ME; Camp, HS; Sham, HL; Frevert, EU; Jacobson, PB; Link, JT Discovery and metabolic stabilization of potent and selective 2-amino-N-(adamant-2-yl) acetamide 11beta-hydroxysteroid dehydrogenase type 1 inhibitors. J Med Chem 50:149-64 (2007) [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:
BDBM50202100
Synonyms:
CHEMBL218197 | N-(5-fluoro-7-hydroxyadamantan-2-yl)-2-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]propionamidef
Type:
Small organic molecule
Emp. Form.:
C23H30F4N4O2
Mol. Mass.:
470.5035
SMILES:
CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@@]3(O)CC1C[C@@](F)(C2)C3 |r,wU:21.22,24.26,wD:29.32,TLB:21:22:32:26.27.28,21:27:32:31.23.22,20:21:32.24.26:28,THB:23:24:28:31.22.21,23:22:32.24.26:28,25:24:28:31.22.21,(19.28,-5.83,;19.3,-7.37,;20.64,-8.12,;20.63,-9.67,;21.96,-10.44,;23.3,-9.68,;23.3,-8.14,;21.97,-7.36,;24.6,-10.51,;24.52,-12.04,;25.82,-12.87,;27.19,-12.16,;27.25,-10.61,;25.95,-9.79,;28.49,-12.98,;29.79,-13.78,;27.67,-14.29,;29.31,-11.68,;17.98,-8.16,;18.01,-9.7,;16.63,-7.42,;15.31,-8.21,;15.23,-9.74,;14.16,-10.97,;12.79,-10.34,;12.72,-11.88,;12.85,-8.76,;13.95,-7.57,;12.58,-7.99,;12.52,-9.47,;11.16,-8.87,;13.82,-10.02,;11.27,-10.69,)|
Structure:
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