Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334713
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
37±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:
BDBM50334713
Synonyms:
(S)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642842
Type:
Small organic molecule
Emp. Form.:
C22H28FN3O4S
Mol. Mass.:
449.539
SMILES:
NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(29.23,.08,;28.41,1.38,;29.13,2.75,;26.87,1.32,;26.88,2.85,;25.49,3.43,;24.45,2.19,;24.45,.61,;25.86,.05,;22.95,.19,;21.61,.96,;20.28,.19,;18.95,.95,;20.28,-1.35,;21.53,-2.26,;21.05,-3.73,;19.51,-3.73,;19.04,-2.26,;17.7,-1.51,;16.92,-.17,;18.46,-.17,;16.37,-2.3,;16.41,-3.83,;15.09,-4.63,;13.74,-3.88,;13.71,-2.34,;15.03,-1.55,;15.01,-.01,;24.15,1.47,;24.14,2.95,;25.47,.98,)|
Structure:
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