Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50550268
Substrate
n/a
Meas. Tech.
ChEMBL_2027334 (CHEMBL4681492)
IC50
4.8±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:
BDBM50550268
Synonyms:
CHEMBL4746670
Type:
Small organic molecule
Emp. Form.:
C28H36FN5O4S
Mol. Mass.:
557.68
SMILES:
CCS(=O)(=O)c1ccc(N2CCN([C@H](C)C2)c2nccc(n2)C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(F)c1 |r,wD:13.13,TLB:24:25:34.28.29:31,25:26:34:29.30.31,THB:27:28:31:35.26.25,27:26:34.28.29:31,25:30:34:35.27.26,(2.66,-3.75,;3.99,-4.52,;5.33,-3.74,;4.55,-2.4,;6.1,-2.4,;6.66,-4.52,;6.66,-6.07,;7.99,-6.84,;9.32,-6.07,;10.65,-6.84,;11.99,-6.08,;13.31,-6.85,;13.31,-8.39,;11.98,-9.16,;11.98,-10.7,;10.65,-8.39,;14.64,-9.17,;14.64,-10.71,;15.97,-11.48,;17.31,-10.71,;17.31,-9.16,;15.97,-8.4,;18.64,-8.39,;18.63,-6.85,;19.98,-9.15,;21.31,-8.38,;21.28,-6.85,;22.26,-5.55,;23.68,-6.08,;23.73,-7.66,;22.72,-8.92,;24.05,-8.41,;24.01,-6.93,;25.49,-7.32,;25.17,-5.62,;22.67,-6.47,;9.33,-4.53,;10.67,-3.77,;8,-3.76,)|
Structure:
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