Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239603
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:
BDBM50239603
Synonyms:
CHEMBL4101370
Type:
Small organic molecule
Emp. Form.:
C26H30N2O3
Mol. Mass.:
418.528
SMILES:
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccc(cc1)-c1ccncc1 |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,(5.99,-16.91,;7.14,-17.94,;8.68,-17.86,;8.76,-19.41,;7.22,-19.48,;9.9,-20.44,;9.58,-21.95,;11.37,-19.97,;12.51,-21,;13.72,-19.72,;15.04,-20.22,;16.44,-19.87,;15.43,-21.14,;14.01,-20.58,;14.01,-18.99,;15.05,-17.75,;13.71,-18.23,;16.46,-18.34,;17.75,-17.49,;12.5,-22.54,;11.16,-23.3,;11.14,-24.83,;12.46,-25.61,;13.81,-24.85,;13.82,-23.32,;12.45,-27.16,;11.11,-27.92,;11.09,-29.46,;12.42,-30.24,;13.77,-29.48,;13.78,-27.94,)|