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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239605
Substrate
n/a
Meas. Tech.
ChEMBL_1666539 (CHEMBL4016335)
IC50
8.50±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:
BDBM50239605
Synonyms:
CHEMBL4073762
Type:
Small organic molecule
Emp. Form.:
C21H26FNO3
Mol. Mass.:
359.4344
SMILES:
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccc(F)cc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,17:15:8:10.11.12,17:11:8:14.16.15,18:17:8.9.10:12,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(27.3,-38.92,;27.77,-37.45,;27.08,-36.08,;28.46,-35.39,;29.15,-36.76,;28.93,-33.92,;27.68,-33.01,;30.4,-33.44,;31.54,-34.48,;33.04,-34.06,;33.03,-32.47,;34.07,-31.24,;32.73,-31.71,;32.74,-33.2,;34.06,-33.69,;35.46,-33.34,;34.45,-34.62,;35.47,-31.81,;36.76,-30.97,;31.53,-36.01,;30.19,-36.77,;30.17,-38.3,;31.49,-39.08,;31.48,-40.62,;32.84,-38.32,;32.85,-36.79,)|