Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50384525
Substrate
n/a
Meas. Tech.
ChEMBL_821912 (CHEMBL2039558)
IC50
5±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 
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:
BDBM50384525
Synonyms:
CHEMBL2036237
Type:
Small organic molecule
Emp. Form.:
C24H31Cl3N4O4S
Mol. Mass.:
577.951
SMILES:
CC1(C)CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |r,wU:9.8,wD:16.21,TLB:9:10:17:15.14.13,8:9:17.16.15:13,18:16:13:11.10.9,19:16:13:11.10.9,THB:9:14:17:11.18.10,18:10:17.16.15:13,(9.61,-6.35,;10.38,-7.68,;11.15,-6.34,;11.73,-8.47,;11.73,-10.02,;13.06,-10.79,;14.39,-10.03,;14.4,-8.49,;15.73,-10.8,;15.72,-12.34,;17.09,-13.01,;16.8,-14.43,;15.78,-15.41,;14.44,-14.77,;14.59,-13.35,;15.26,-14.83,;16.69,-15.5,;16.42,-17.04,;17.81,-14.48,;18.17,-15.91,;18.57,-17.4,;19.27,-14.82,;10.38,-10.78,;11.15,-12.12,;9.6,-12.11,;9.05,-10.02,;9.05,-8.47,;7.72,-10.79,;6.39,-10.02,;6.39,-8.48,;5.05,-10.79,;5.06,-12.34,;3.73,-13.12,;6.4,-13.1,;7.72,-12.33,;9.05,-13.09,)|
Structure:
Search PDB for entries with ligand similarity: