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Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50239616
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666539 (CHEMBL4016335)
IC50 1.000000±n/a nM
Citation Ye, XYChen, SYWu, SYoon, DSWang, HHong, ZO'Connor, SPLi, JLi, JJKennedy, LJWalker, SJNayeem, ASheriff, SCamac, DMRamamurthy, VMorin, PEZebo, RTaylor, JRMorgan, NNPonticiello, RPHarrity, TApedo, AGolla, RSeethala, RWang, MHarper, TWSleczka, BGHe, BKirby, MLeahy, DKLi, JHanson, RLGuo, ZLi, YXDiMarco, JDScaringe, RMaxwell, BMoulin, FBarrish, JCGordon, DARobl, JA Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11?-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem60:4932-4948 (2017) [PubMed]  Article
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11-beta-hydroxysteroid dehydrogenase 1
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:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAH
VVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNH
ITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMV
AAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEE
CALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
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  Blast E-value cutoff:
BDBM50239616
n/a
NameBDBM50239616
Synonyms:CHEMBL4078671
TypeSmall organic molecule
Emp. Form.C22H28FNO2
Mol. Mass.357.4616
SMILESCOC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:18:17:15:11.12.13,8:9:11.18.12:16.14.15,19:9:15:11.12.13,THB:18:12:9.17.16:15,13:12:9:16.14.15,13:14:9:11.18.12,8:9:15:11.12.13,19:9:11.18.12:16.14.15,(63.87,-11.5,;65.38,-11.19,;65.86,-9.72,;65.16,-8.35,;66.55,-7.65,;67.23,-9.02,;67.02,-6.18,;65.77,-5.27,;68.49,-5.7,;69.64,-6.74,;70.83,-5.46,;72.15,-5.95,;73.55,-5.61,;73.57,-4.08,;72.16,-3.5,;70.82,-3.98,;71.13,-4.74,;71.13,-6.32,;72.54,-6.88,;69.62,-8.28,;68.28,-9.02,;68.26,-10.56,;69.59,-11.34,;69.57,-12.89,;70.92,-10.58,;70.93,-9.05,)|
Structure
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