Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356350
Substrate
n/a
Meas. Tech.
ChEMBL_775369 (CHEMBL1912854)
IC50
13±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:
BDBM50356350
Synonyms:
CHEMBL1911398
Type:
Small organic molecule
Emp. Form.:
C18H20F2O2
Mol. Mass.:
306.347
SMILES:
OC(=O)CC1(C2CC3CC1CC(F)(C3)C2)c1ccc(F)cc1 |TLB:14:11:4.5.6:8,3:4:10.14.11:6.7.8,3:4:8:10.11.13,THB:14:5:8:10.11.13,12:11:4:6.7.8,12:11:4.5.6:8,13:11:4:6.7.8,13:7:4:10.14.11,15:4:10.14.11:6.7.8,(-7.87,4.48,;-6.54,3.7,;-5.2,4.47,;-6.54,2.16,;-5.2,1.39,;-3.7,1.81,;-3.71,3.39,;-2.67,4.63,;-4.01,4.15,;-4.01,2.66,;-2.68,2.17,;-1.28,2.52,;.26,2.58,;-1.27,4.05,;-2.3,1.24,;-5.95,.03,;-7.48,.01,;-8.23,-1.34,;-7.43,-2.66,;-8.17,-4.01,;-5.88,-2.62,;-5.14,-1.27,)|