Reaction Details
Report a problem with these data
Report a problem with these dataTarget
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50433412
Substrate
n/a
Meas. Tech.
ChEMBL_958508 (CHEMBL2383280)
IC50
4.0±n/a nM
Citation
Venier, O; Pascal, C; Braun, A; Namane, C; Mougenot, P; Crespin, O; Pacquet, F; Mougenot, C; Monseau, C; Onofri, B; Dadji-Faïhun, R; Leger, C; Ben-Hassine, M; Van-Pham, T; Ragot, JL; Philippo, C; Farjot, G; Noah, L; Maniani, K; Boutarfa, A; Nicolaï, E; Guillot, E; Pruniaux, MP; Güssregen, S; Engel, C; Coutant, AL; de Miguel, B; Castro, A Discovery of SAR184841, a potent and long-lasting inhibitor of 11ß-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D. Bioorg Med Chem Lett 23:2414-21 (2013) [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:
BDBM50433412
Synonyms:
CHEMBL2380649
Type:
Small organic molecule
Emp. Form.:
C32H41N7O4S
Mol. Mass.:
619.777
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:9.41.42:6,10:9:3.8.43:42.5.6,10:9:6:3.8.4,THB:43:3:9.41.42:6,43:41:6:3.8.4,4:3:9:42.5.6,4:5:9:3.8.43,(26.96,-60.09,;26.19,-58.76,;26.96,-57.43,;24.65,-58.76,;24.66,-57.23,;23.27,-56.65,;21.92,-57.13,;21.93,-58.62,;23.26,-59.11,;20.73,-59.89,;19.19,-59.87,;18.27,-61.1,;19.04,-62.44,;16.73,-61.1,;15.96,-62.43,;14.42,-62.43,;13.65,-61.09,;12.11,-61.09,;11.33,-59.75,;9.8,-59.75,;9.03,-61.08,;9.8,-62.42,;11.34,-62.42,;7.5,-61.09,;6.73,-62.42,;5.2,-62.41,;4.43,-61.09,;5.19,-59.76,;6.73,-59.76,;2.89,-61.09,;2.88,-62.63,;1.55,-61.85,;2.12,-59.77,;2.1,-58.24,;.78,-59.01,;14.42,-59.75,;13.65,-58.42,;14.43,-57.08,;15.98,-57.09,;16.75,-58.43,;15.97,-59.77,;22.23,-59.47,;22.23,-57.89,;23.64,-60.04,)|
Structure:
