Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50550258
Substrate
n/a
Meas. Tech.
ChEMBL_2027334 (CHEMBL4681492)
IC50
18±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:
BDBM50550258
Synonyms:
CHEMBL4756971
Type:
Small organic molecule
Emp. Form.:
C27H32F3N5O2
Mol. Mass.:
515.5705
SMILES:
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)C(F)(F)F |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,(67.19,-39.12,;67.19,-37.58,;65.85,-36.8,;65.86,-35.26,;67.19,-34.49,;68.52,-35.26,;68.52,-36.8,;69.85,-37.58,;69.85,-39.13,;71.18,-39.9,;72.52,-39.13,;72.51,-37.57,;71.18,-36.81,;73.85,-36.8,;73.84,-35.26,;75.18,-37.56,;76.51,-36.79,;76.49,-35.26,;77.47,-33.96,;78.89,-34.49,;78.93,-36.07,;77.92,-37.33,;79.26,-36.82,;79.21,-35.34,;80.69,-35.73,;80.38,-34.03,;77.87,-34.88,;64.53,-34.48,;64.54,-32.94,;63.21,-32.17,;61.87,-32.93,;61.87,-34.48,;63.2,-35.25,;60.54,-32.16,;60.54,-30.62,;59.2,-32.93,;59.2,-31.38,)|
Structure:
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