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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448733
Substrate
n/a
Meas. Tech.
ChEMBL_1297897 (CHEMBL3132110)
IC50
1.4±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:
BDBM50448733
Synonyms:
CHEMBL3127866
Type:
Small organic molecule
Emp. Form.:
C21H28N2O4S
Mol. Mass.:
404.523
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(O[C@@H]4CCCO4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,15.15,TLB:8:7:26:27.1.2,6:1:7.5.4:26,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.6.1,0:1:7:4.3.26,0:1:7.5.4:26,(39.73,-16.8,;38.19,-16.84,;38.23,-15.31,;36.84,-14.7,;35.78,-15.92,;35.75,-17.51,;37.16,-18.1,;34.25,-17.9,;32.92,-18.67,;31.59,-17.91,;31.58,-16.37,;30.26,-18.68,;29.03,-17.76,;27.77,-18.64,;26.31,-18.14,;25.07,-19.06,;25.08,-20.61,;23.62,-21.09,;22.71,-19.85,;23.6,-18.6,;28.22,-20.12,;29.76,-20.14,;30.65,-21.39,;30.78,-22.93,;32.04,-22.04,;35.47,-16.65,;35.49,-15.16,;36.79,-17.16,)|
Structure:
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