Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50550256
Substrate
n/a
Meas. Tech.
ChEMBL_2027334 (CHEMBL4681492)
IC50
22±n/a nM
Citation
 Ryu, JH; Lee, JA; Kim, S; Shin, YA; Yang, J; Han, HY; Son, HJ; Kim, YH; Sa, JH; Kim, JS; Lee, J; Lee, J; Park, HG Discovery of 2-((R)-4-(2-Fluoro-4-(methylsulfonyl)phenyl)-2-methylpiperazin-1-yl)-N-((1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl)pyrimidine-4-carboxamide (SKI2852): A Highly Potent, Selective, and Orally Bioavailable Inhibitor of 11?-Hydroxysteroid Dehydrogenase Type 1 (11?-HSD1). J Med Chem 59:10176-10189 (2016) [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:
BDBM50550256
Synonyms:
CHEMBL4783201
Type:
Small organic molecule
Emp. Form.:
C26H32FN5O2
Mol. Mass.:
465.563
SMILES:
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(F)cc1 |r,wD:1.0,TLB:16:17:25:20.21.22,15:16:25.19.20:22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(67.07,-12.07,;67.07,-10.53,;65.73,-9.75,;65.74,-8.21,;67.07,-7.45,;68.4,-8.22,;68.4,-9.76,;69.73,-10.54,;69.73,-12.08,;71.06,-12.85,;72.4,-12.08,;72.39,-10.53,;71.06,-9.77,;73.73,-9.76,;73.72,-8.22,;75.06,-10.52,;76.39,-9.75,;76.37,-8.22,;77.35,-6.92,;78.77,-7.45,;78.81,-9.03,;77.8,-10.29,;79.14,-9.78,;79.09,-8.3,;80.57,-8.69,;80.26,-6.99,;77.76,-7.84,;64.41,-7.44,;64.42,-5.9,;63.09,-5.12,;61.75,-5.89,;60.42,-5.12,;61.75,-7.44,;63.08,-8.21,)|
Structure:
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