Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50445580
Substrate
n/a
Meas. Tech.
ChEMBL_1666539 (CHEMBL4016335)
IC50
52±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 | 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:
BDBM50445580
Synonyms:
CHEMBL3103434
Type:
Small organic molecule
Emp. Form.:
C18H21FN4
Mol. Mass.:
312.3845
SMILES:
Fc1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC(C2)CC1C3 |TLB:22:21:19:15.16.17,4:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,4:7:15.22.16:20.18.19,8:7:19:15.16.17,(10.18,-13.14,;10.19,-11.6,;8.86,-10.82,;8.87,-9.28,;10.21,-8.53,;11.53,-9.3,;11.53,-10.83,;10.22,-6.99,;8.88,-6.19,;7.53,-6.94,;6.13,-6.28,;5.07,-7.42,;5.83,-8.77,;7.34,-8.47,;11.42,-5.71,;12.75,-6.2,;14.15,-5.85,;14.17,-4.32,;12.76,-3.74,;11.42,-4.22,;11.72,-4.98,;11.72,-6.57,;13.14,-7.13,)|
Structure:
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