Reaction Details
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11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50433404
Substrate
n/a
Meas. Tech.
ChEMBL_958508 (CHEMBL2383280)
IC50
14±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:
BDBM50433404
Synonyms:
CHEMBL2380641
Type:
Small organic molecule
Emp. Form.:
C28H37N7O4S
Mol. Mass.:
567.703
SMILES:
CS(=O)(=O)N1CCN(CC1)c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(2.53,-27.78,;3.31,-29.1,;3.3,-30.64,;1.97,-29.87,;4.85,-29.11,;5.62,-30.43,;7.15,-30.43,;7.92,-29.1,;7.15,-27.77,;5.61,-27.78,;9.45,-29.1,;10.22,-30.44,;11.76,-30.44,;12.53,-29.1,;11.75,-27.76,;10.22,-27.77,;14.07,-29.1,;14.84,-30.44,;16.37,-30.44,;17.15,-29.11,;18.69,-29.12,;19.46,-30.45,;19.61,-27.88,;21.15,-27.91,;22.34,-26.63,;22.33,-25.15,;23.68,-24.67,;22.64,-25.9,;22.65,-27.49,;24.05,-28.05,;25.07,-26.78,;26.61,-26.78,;25.08,-25.25,;23.67,-27.12,;16.38,-27.78,;17.16,-26.45,;16.4,-25.1,;14.84,-25.1,;14.07,-26.43,;14.84,-27.77,)|
Structure:
