Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334691
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
554±n/a nM
Citation
 Kwon, SW; Kang, SK; Lee, JH; Bok, JH; Kim, CH; Dal Rhee, S; Jung, WH; Kim, HY; Bae, MA; Song, JS; Ha, DC; Cheon, HG; Kim, KY; Ahn, JH Synthesis and 11ß hydroxysteroid dehydrogenase 1 inhibition of thiazolidine derivatives with an adamantyl group. Bioorg Med Chem Lett 21:435-9 (2010) [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:
BDBM50334691
Synonyms:
2-(Adamantan-2-ylcarbamoyl)-thiazolidine-3-carboxylic acid tert-butyl ester | CHEMBL1642605
Type:
Small organic molecule
Emp. Form.:
C19H30N2O3S
Mol. Mass.:
366.518
SMILES:
CC(C)(C)OC(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:14:15:17.24.18:22.20.21,24:23:21:17.18.19,THB:14:15:21:17.18.19,24:18:15.23.22:21,19:18:15:22.20.21,19:20:15:17.24.18,(3.39,.72,;4.72,1.5,;4.71,3.04,;3.34,2.2,;6.06,.74,;7.39,1.52,;7.38,3.06,;8.73,.76,;9.2,-.71,;10.74,-.71,;11.22,.76,;9.97,1.66,;9.97,3.2,;8.63,3.97,;11.3,3.98,;12.64,3.21,;13.83,4.48,;15.16,3.99,;16.56,4.34,;16.57,5.87,;15.17,6.45,;13.82,5.97,;14.13,5.21,;14.14,3.63,;15.54,3.06,)|
Structure:
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