Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239609
Substrate
n/a
Meas. Tech.
ChEMBL_1666539 (CHEMBL4016335)
IC50
1.000000±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
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:
BDBM50239609
Synonyms:
CHEMBL4093016
Type:
Small organic molecule
Emp. Form.:
C21H26FNO
Mol. Mass.:
327.4356
SMILES:
Fc1ccc(cc1)C1(CC(=O)N2CCC2)C2CC3CC(C2)CC1C3 |TLB:23:22:20:16.17.18,8:7:16.23.17:21.19.20,4:7:20:16.17.18,THB:23:17:7.22.21:20,18:17:7:21.19.20,18:19:7:16.23.17,8:7:20:16.17.18,4:7:16.23.17:21.19.20,(23.9,-12.85,;23.91,-11.3,;22.58,-10.52,;22.6,-8.98,;23.94,-8.23,;25.26,-9,;25.25,-10.54,;23.96,-6.69,;22.81,-5.65,;21.34,-6.13,;20.1,-5.22,;20.86,-7.6,;19.48,-8.3,;20.18,-9.68,;21.56,-8.98,;25.16,-5.41,;26.48,-5.9,;27.88,-5.55,;27.9,-4.02,;26.49,-3.44,;25.15,-3.92,;25.45,-4.68,;25.46,-6.27,;26.87,-6.84,)|