Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50550251
Substrate
n/a
Meas. Tech.
ChEMBL_2027334 (CHEMBL4681492)
IC50
3.7±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:
BDBM50550251
Synonyms:
CHEMBL4750382
Type:
Small organic molecule
Emp. Form.:
C27H34N6O3
Mol. Mass.:
490.5973
SMILES:
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(nc1)C(N)=O |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,(11.9,-22.26,;11.9,-20.72,;10.57,-19.94,;10.57,-18.4,;11.91,-17.64,;13.24,-18.41,;13.23,-19.95,;14.56,-20.72,;14.56,-22.27,;15.9,-23.04,;17.23,-22.27,;17.23,-20.72,;15.89,-19.95,;18.56,-19.94,;18.55,-18.4,;19.9,-20.71,;21.23,-19.93,;21.2,-18.4,;22.18,-17.1,;23.6,-17.63,;23.64,-19.22,;22.64,-20.48,;23.97,-19.97,;23.93,-18.48,;25.4,-18.87,;25.09,-17.18,;22.59,-18.02,;9.25,-17.63,;9.25,-16.09,;7.93,-15.31,;6.59,-16.08,;6.59,-17.63,;7.92,-18.39,;5.25,-15.3,;5.26,-13.76,;3.92,-16.07,)|
Structure:
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