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Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50329305
Substrate/Competitorn/a
Meas. Tech.ChEMBL_675393 (CHEMBL1273473)
IC50 16.4±n/a nM
Citation Tice, CMZhao, WKrosky, PMKruk, BABerbaum, JJohnson, JABukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGHoward, LTogias, JYe, YJSingh, SBMcKeever, BMLindblom, PRGuo, JGuo, RNar, HSchuler-Metz, AGregg, RELeftheris, KHarrison, RKMcGeehan, GMZhuang, LClaremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
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:
BDBM50329305
n/a
NameBDBM50329305
Synonyms:(R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1271010
TypeSmall organic molecule
Emp. Form.C21H26F3N5O3
Mol. Mass.453.458
SMILESNC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.48,-11.09,;-9.13,-10.31,;-9.13,-8.77,;-7.79,-11.09,;-8.99,-12.37,;-7.49,-11.95,;-6.08,-12.51,;-5.07,-11.23,;-6.46,-11.58,;-5.06,-9.71,;-3.72,-8.95,;-2.39,-9.73,;-2.41,-11.27,;-1.05,-8.97,;-1.02,-7.43,;.45,-6.98,;1.33,-8.24,;.41,-9.47,;2.87,-8.26,;3.67,-6.94,;5.21,-6.97,;6,-5.65,;5.25,-4.31,;3.7,-4.28,;2.92,-5.61,;2.95,-2.94,;3.73,-1.62,;1.41,-2.92,;2.16,-1.6,;-6.45,-9.13,;-7.49,-10.36,;-7.8,-9.61,)|
Structure
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