Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50537917
Substrate
n/a
Meas. Tech.
ChEMBL_1970844 (CHEMBL4603662)
IC50
14±n/a nM
Citation
 Lee, JH; Bok, JH; Park, SB; Pagire, HS; Na, YJ; Rim, E; Jung, WH; Song, JS; Kang, NS; Seo, HW; Jung, KY; Lee, BH; Kim, KY; Ahn, JH Optimization of cyclic sulfamide derivatives as 11?-hydroxysteroid dehydrogenase 1 inhibitors for the potential treatment of ischemic brain injury. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50537917
Synonyms:
CHEMBL4648389
Type:
Small organic molecule
Emp. Form.:
C24H32Cl2N4O4S
Mol. Mass.:
543.506
SMILES:
CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(C)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(36.44,-11.66,;36.42,-13.2,;37.73,-13.98,;37.71,-15.52,;39.04,-16.3,;40.38,-15.54,;40.39,-14,;41.71,-16.33,;43.05,-15.57,;44.8,-15.61,;45.32,-16.94,;46.51,-17.76,;44.88,-17.85,;44.36,-16.42,;45.55,-15.36,;47.17,-15.32,;47.67,-16.75,;45.91,-14.62,;48.5,-14.54,;49.84,-15.3,;48.49,-13,;36.38,-16.28,;37.14,-17.61,;35.61,-17.61,;35.05,-15.49,;35.07,-13.95,;33.72,-16.25,;33.7,-17.78,;35.03,-18.57,;32.37,-18.54,;31.03,-17.76,;29.69,-18.51,;31.05,-16.22,;32.39,-15.46,;32.41,-13.92,)|
Structure:
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