Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356349
Substrate
n/a
Meas. Tech.
ChEMBL_775369 (CHEMBL1912854)
IC50
21±n/a nM
Citation
Ye, XY; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1). Bioorg Med Chem Lett 21:6699-704 (2011) [PubMed] Article
More Info.:
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:
BDBM50356349
Synonyms:
CHEMBL1911399
Type:
Small organic molecule
Emp. Form.:
C19H23FO3
Mol. Mass.:
318.3825
SMILES:
COC12CC3CC(C1)C(CC(O)=O)(C(C3)C2)c1ccc(F)cc1 |TLB:7:2:8.6.5:14,9:8:15.7.2:5.4.14,9:8:14:15.2.3,THB:7:6:14:15.2.3,1:2:8:5.4.14,1:2:8.6.5:14,3:2:8:5.4.14,3:4:8:15.7.2,16:8:15.7.2:5.4.14,(15.09,1.33,;14.27,2.63,;12.73,2.57,;12.74,4.1,;11.35,4.68,;10.31,3.44,;10.31,1.86,;11.72,1.29,;8.81,1.44,;7.47,2.22,;7.47,3.76,;6.14,4.53,;8.81,4.53,;10.01,2.72,;10,4.2,;11.34,2.23,;8.07,.09,;6.53,.06,;5.79,-1.29,;6.59,-2.61,;5.85,-3.96,;8.14,-2.57,;8.87,-1.22,)|