Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334706
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
8±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:
BDBM50334706
Synonyms:
3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642620
Type:
Small organic molecule
Emp. Form.:
C22H29N3O4S2
Mol. Mass.:
463.613
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:17:18:24.27.25:20.21.22,17:18:22:24.25.26,27:25:18.19.20:22,THB:27:19:22:24.25.26,26:25:18:20.21.22,26:21:18:24.27.25,28:25:18:20.21.22,28:25:18.19.20:22,(21.54,-45.78,;22.86,-44.98,;22.84,-43.44,;24.16,-42.65,;25.5,-43.41,;25.53,-44.94,;24.21,-45.73,;26.82,-42.62,;26.04,-41.28,;27.58,-41.28,;28.17,-43.37,;28.64,-44.83,;30.18,-44.83,;30.66,-43.37,;29.41,-42.46,;29.41,-40.92,;28.07,-40.15,;30.74,-40.15,;32.07,-40.91,;33.57,-40.49,;33.57,-38.91,;34.61,-37.68,;33.26,-38.15,;33.27,-39.64,;34.6,-40.13,;35.99,-39.78,;36,-38.25,;34.98,-41.06,;37.53,-39.72,;38.35,-41.02,;38.25,-38.36,)|
Structure:
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