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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448699
Substrate
n/a
Meas. Tech.
ChEMBL_1297893 (CHEMBL3132106)
IC50
17±n/a nM
Citation
 Goldberg, FW; Dossetter, AG; Scott, JS; Robb, GR; Boyd, S; Groombridge, SD; Kemmitt, PD; Sjögren, T; Gutierrez, PM; deSchoolmeester, J; Swales, JG; Turnbull, AV; Wild, MJ Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem 57:970-86 (2014) [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:
BDBM50448699
Synonyms:
CHEMBL3127863
Type:
Small organic molecule
Emp. Form.:
C20H28N2O4S
Mol. Mass.:
392.512
SMILES:
COCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:23.26,wD:16.17,TLB:15:16:20:22.23.25,26:23:16.17.18:20,THB:26:17:20:22.23.25,25:23:16:18.19.20,25:19:16:22.26.23,24:23:16:18.19.20,24:23:16.17.18:20,(21.81,-7.27,;23.26,-7.77,;24.42,-6.76,;25.88,-7.26,;27.04,-6.24,;28.5,-6.74,;28.95,-8.22,;30.49,-8.24,;31.38,-9.49,;31.52,-11.03,;32.78,-10.14,;30.99,-6.78,;29.76,-5.86,;32.32,-6.01,;32.31,-4.47,;33.66,-6.77,;34.99,-6,;36.49,-5.61,;36.51,-4.02,;37.57,-2.8,;36.22,-3.26,;36.2,-4.75,;37.52,-5.26,;38.93,-4.94,;40.47,-4.9,;38.96,-3.41,;37.89,-6.2,)|
Structure:
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