Reaction Details
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11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50430131
Substrate
n/a
Meas. Tech.
ChEMBL_942934 (CHEMBL2342883)
IC50
29±n/a nM
Citation
Udagawa, S; Sakami, S; Takemura, T; Sato, M; Arai, T; Nitta, A; Aoki, T; Kawai, K; Iwamura, T; Okazaki, S; Takahashi, T; Kaino, M Discovery of novel 7-membered cyclic amide derivatives that inhibit 11beta-hydroxysteroid dehydrogenase type 1. Bioorg Med Chem Lett 23:1617-21 (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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
Inhibitor
Name:
BDBM50430131
Synonyms:
CHEMBL2338255
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O2
Mol. Mass.:
473.5305
SMILES:
CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(cc1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(34.61,-12.4,;35.25,-13.8,;35.64,-12.3,;36.78,-13.85,;37.71,-15.07,;37.34,-16.57,;38.52,-17.56,;39.91,-16.97,;40.96,-18.19,;40.97,-19.78,;39.57,-20.35,;38.54,-19.08,;39.94,-19.42,;41.26,-18.92,;42.8,-18.9,;42.47,-20.18,;41.26,-17.43,;35.94,-17.2,;35.9,-18.74,;34.56,-16.5,;33.22,-17.26,;32.08,-16.22,;32.72,-14.81,;34.26,-14.99,;31.96,-13.48,;32.75,-12.15,;31.99,-10.81,;30.45,-10.8,;29.67,-12.14,;30.43,-13.47,;29.69,-9.46,;30.47,-8.13,;28.15,-9.45,;28.9,-8.12,)|
Structure:
