Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239633
Substrate
n/a
Meas. Tech.
ChEMBL_1666540 (CHEMBL4016336)
IC50
238±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:
BDBM50239633
Synonyms:
CHEMBL4102950
Type:
Small organic molecule
Emp. Form.:
C21H25F2NO2
Mol. Mass.:
361.4255
SMILES:
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(F)(C3)C2)c1ccc(F)cc1 |TLB:12:13:18:10.11.17,12:11:8.13.14:18,19:8:10.12.11:14.15.18,19:8:18:10.11.17,THB:17:11:8:14.15.18,17:15:8:10.12.11,16:15:8:10.12.11,7:8:10.12.11:14.15.18,7:8:18:10.11.17,(64.54,-24.64,;65.02,-23.17,;64.31,-21.79,;65.69,-21.1,;66.39,-22.47,;66.18,-19.63,;64.92,-18.71,;67.65,-19.16,;68.79,-20.18,;69.99,-18.91,;71.31,-19.4,;72.71,-19.06,;71.7,-20.34,;70.29,-19.77,;70.28,-18.18,;71.32,-16.94,;71.93,-15.52,;72.73,-17.52,;69.98,-17.42,;68.77,-21.72,;67.43,-22.48,;67.41,-24.02,;68.74,-24.8,;68.72,-26.34,;70.08,-24.04,;70.09,-22.5,)|
Structure:
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