Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239595
Substrate
n/a
Meas. Tech.
ChEMBL_1666540 (CHEMBL4016336)
IC50
302±n/a nM
Citation
 Ye, XY; Chen, SY; Wu, S; Yoon, DS; Wang, H; Hong, Z; O'Connor, SP; Li, J; Li, JJ; Kennedy, LJ; Walker, SJ; Nayeem, A; Sheriff, S; Camac, DM; Ramamurthy, V; Morin, PE; Zebo, R; Taylor, JR; Morgan, NN; Ponticiello, RP; Harrity, T; Apedo, A; Golla, R; Seethala, R; Wang, M; Harper, TW; Sleczka, BG; He, B; Kirby, M; Leahy, DK; Li, J; Hanson, RL; Guo, Z; Li, YX; DiMarco, JD; Scaringe, R; Maxwell, B; Moulin, F; Barrish, JC; Gordon, DA; Robl, JA Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11?-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem 60:4932-4948 (2017) [PubMed]  Article
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:
BDBM50239595
Synonyms:
CHEMBL4098338
Type:
Small organic molecule
Emp. Form.:
C21H26ClNO3
Mol. Mass.:
375.889
SMILES:
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1cccc(Cl)c1 |TLB:12:11:8.13.14:16,7:8:16:10.11.17,19:8:10.12.11:14.15.16,THB:18:17:8.13.14:16,12:13:16:10.11.17,17:11:8:14.15.16,17:15:8:10.12.11,7:8:10.12.11:14.15.16,19:8:16:10.11.17,(5.61,-17.65,;6.75,-18.68,;8.29,-18.6,;8.37,-20.14,;6.83,-20.22,;9.51,-21.18,;9.19,-22.68,;10.98,-20.7,;12.12,-21.74,;13.32,-20.46,;14.65,-20.95,;16.04,-20.6,;15.04,-21.88,;13.62,-21.31,;13.62,-19.73,;14.66,-18.49,;13.31,-18.97,;16.06,-19.07,;17.35,-18.23,;12.11,-23.27,;10.76,-24.03,;10.75,-25.56,;12.07,-26.35,;13.42,-25.58,;14.75,-26.36,;13.43,-24.05,)|
Structure:
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