Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50550249
Substrate
n/a
Meas. Tech.
ChEMBL_2027334 (CHEMBL4681492)
IC50
8.2±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:
BDBM50550249
Synonyms:
CHEMBL4742750
Type:
Small organic molecule
Emp. Form.:
C28H35N5O3
Mol. Mass.:
489.6092
SMILES:
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)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,(60.9,-38.22,;60.9,-36.68,;59.57,-35.9,;59.57,-34.36,;60.91,-33.6,;62.23,-34.37,;62.23,-35.91,;63.56,-36.69,;63.56,-38.23,;64.89,-39,;66.23,-38.23,;66.22,-36.68,;64.89,-35.92,;67.56,-35.91,;67.55,-34.37,;68.89,-36.67,;70.22,-35.89,;70.2,-34.37,;71.18,-33.07,;72.6,-33.6,;72.64,-35.18,;71.63,-36.44,;72.97,-35.93,;72.92,-34.45,;74.4,-34.84,;74.09,-33.14,;71.58,-33.99,;58.24,-33.59,;58.25,-32.05,;56.92,-31.28,;55.59,-32.04,;55.59,-33.59,;56.92,-34.36,;54.25,-31.26,;54.26,-29.73,;52.92,-32.03,)|
Structure:
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