Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239629
Substrate
n/a
Meas. Tech.
ChEMBL_1666539 (CHEMBL4016335)
IC50
40±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:
BDBM50239629
Synonyms:
CHEMBL4068932
Type:
Small organic molecule
Emp. Form.:
C21H33NO3
Mol. Mass.:
347.4916
SMILES:
OC1CN(C1)C(=O)CC1(C2CCCCC2)C2CC3CC1CC(C2)C3O |TLB:18:17:8.19.20:22,7:8:22:16.17.23,9:8:16.18.17:20.21.22,THB:18:19:22:16.17.23,23:17:8:20.21.22,23:21:8:16.18.17,7:8:16.18.17:20.21.22,9:8:22:16.17.23,24:23:8.19.20:22,(24.26,-3.78,;25.41,-4.82,;26.95,-4.74,;27.02,-6.28,;25.49,-6.36,;28.17,-7.31,;27.85,-8.82,;29.64,-6.84,;30.78,-7.87,;30.77,-9.41,;29.43,-10.16,;29.41,-11.7,;30.72,-12.49,;32.07,-11.73,;32.09,-10.19,;31.98,-6.59,;33.31,-7.08,;34.71,-6.74,;33.7,-8.02,;32.28,-7.46,;32.27,-5.87,;33.32,-4.63,;31.97,-5.1,;34.73,-5.2,;36.02,-4.36,)|
Structure:
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