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Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50400146
Substrate/Competitorn/a
Meas. Tech.ChEMBL_878466 (CHEMBL2187380)
IC50 29±n/a nM
Citation Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem55:10652-61 (2012) [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:
BDBM50400146
n/a
NameBDBM50400146
Synonyms:CHEMBL2179015
TypeSmall organic molecule
Emp. Form.C25H36N4O3
Mol. Mass.440.5783
SMILESO[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CCCC1 |r,wU:14.14,5.6,1.0,wD:21.23,TLB:22:21:14:18.17.16,13:14:24.20.21:18.17.16,13:14:16:24.21.23,THB:22:21:14.19.18:16,23:21:14:18.17.16,23:17:14:24.20.21,20:19:16:24.21.23,20:21:14.19.18:16,(40.19,-42.27,;39.04,-43.3,;37.54,-42.98,;36.76,-44.31,;37.79,-45.46,;39.2,-44.83,;40.54,-45.6,;41.87,-44.83,;41.87,-43.28,;43.2,-42.51,;44.54,-43.28,;45.87,-42.5,;45.86,-40.96,;47.2,-43.27,;48.54,-42.49,;48.53,-40.75,;47.5,-39.67,;48.15,-38.4,;48.17,-39.84,;49.34,-41.16,;50.75,-40.6,;50.61,-38.98,;52.14,-38.99,;49.56,-37.86,;49.83,-40.19,;44.54,-44.83,;43.21,-45.6,;45.88,-45.6,;46.04,-47.12,;47.55,-47.44,;48.32,-46.1,;47.28,-44.96,)|
Structure
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