Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50537918
Substrate
n/a
Meas. Tech.
ChEMBL_1970845 (CHEMBL4603663)
IC50
1.000000±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 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:
BDBM50537918
Synonyms:
CHEMBL3951168
Type:
Small organic molecule
Emp. Form.:
C24H29Cl2F3N4O4S
Mol. Mass.:
597.478
SMILES:
CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:18:15:10:8.12.13,7:8:10:15.16.17,THB:16:11:8:14.15.17,16:15:8:10.11.12,18:15:8:10.11.12,14:13:10:15.16.17,14:15:10:8.12.13,(-1.37,-7.72,;-2.51,-7.26,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-2.03,-3.15,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.16,;3.58,2.29,;3.79,.16,;-5.37,-6.12,;-5.52,-4.9,;-6.32,-6.91,;-5.15,-7.65,;-3.72,-8.22,;-6.36,-8.6,;-7.79,-8.03,;-7.97,-6.81,;-9,-8.99,;-8.78,-10.51,;-7.34,-11.08,;-6.14,-10.12,;-4.99,-10.58,;-9.98,-11.47,;-11.13,-11.01,;-9.8,-12.69,;-10.95,-12.23,)|
Structure:
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