Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334714
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
10±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:
BDBM50334714
Synonyms:
(R)-1-(2-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642843
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,wU: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,(29.87,-8.72,;29.05,-7.42,;29.76,-6.06,;27.51,-7.48,;27.52,-5.95,;26.12,-5.37,;25.08,-6.61,;25.09,-8.19,;26.49,-8.76,;23.59,-8.61,;22.25,-7.85,;20.92,-8.62,;19.58,-7.85,;20.92,-10.16,;22.17,-11.07,;21.69,-12.53,;20.15,-12.53,;19.68,-11.07,;18.33,-10.32,;17.55,-8.98,;19.09,-8.98,;17.01,-11.11,;17.04,-12.64,;15.73,-13.43,;14.37,-12.68,;14.35,-11.14,;15.67,-10.35,;15.65,-8.81,;24.78,-7.34,;24.78,-5.85,;26.11,-7.83,)|
Structure:
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