Reaction Details
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11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50384532
Substrate
n/a
Meas. Tech.
ChEMBL_821913 (CHEMBL2039559)
IC50
170±n/a nM
Citation
Kim, SH; Bok, JH; Lee, JH; Kim, IH; Kwon, SW; Lee, GB; Kang, SK; Park, JS; Jung, WH; Kim, HY; Rhee, SD; Ahn, SH; Bae, MA; Ha, DC; Kim, KY; Ahn, JH Synthesis and biological evaluation of cyclic sulfamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitors. ACS Med Chem Lett 3:88-93 (2012) [PubMed] Article More Info.:
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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
Inhibitor
Name:
BDBM50384532
Synonyms:
CHEMBL2036428
Type:
Small organic molecule
Emp. Form.:
C22H29FN4O4S
Mol. Mass.:
464.553
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:30:6.7.9,10:9:4.3.31:30,1:3:30:6.7.9,THB:8:7:4.3.31:30,9:7:4:31.29.30,9:29:4:6.8.7,(17.67,-16.7,;17.28,-15.21,;18.37,-14.13,;15.79,-14.8,;15.52,-16.34,;14.89,-14.71,;15.9,-13.73,;16.2,-12.31,;16.91,-13.78,;14.82,-11.64,;14.83,-10.1,;13.5,-9.33,;13.51,-7.79,;12.16,-10.09,;10.83,-9.32,;10.83,-7.77,;9.5,-6.98,;8.16,-7.77,;8.16,-9.32,;6.83,-10.09,;6.82,-11.63,;5.5,-12.4,;4.17,-11.64,;4.16,-10.09,;5.49,-9.32,;5.49,-7.78,;9.49,-10.08,;10.25,-11.42,;8.71,-11.41,;13.7,-12.65,;13.55,-14.07,;14.36,-14.13,)|
Structure:
