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Assay Detail

CHEMBL4016336

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of mouse 11beta-HSD1
ChEMBL ↗
44
Total Activities
42
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

11-beta-hydroxysteroid dehydrogenase 1 (CHEMBL3910) ↗
Type SINGLE PROTEIN
Organism Mus musculus

Publication

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 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
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.
J Med Chem (2017) 60 : 4932 -4948
PubMed 28537398 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 44 6.58 8.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4071232 — — 1 8.22
CHEMBL4078671 — — 1 8.10
CHEMBL4062586 — — 1 7.92
CHEMBL4067777 — — 1 7.75
CHEMBL4102283 — — 1 7.72
CHEMBL4093016 — — 1 7.43
CHEMBL4069598 — — 1 7.37
CHEMBL4080667 — — 2 7.36
CHEMBL4083748 — — 1 7.35
CHEMBL4087497 — — 1 7.28
CHEMBL4090613 — — 1 7.27
CHEMBL4080314 — — 1 7.19
CHEMBL4086816 BMS-816336 1.0 1 7.17
CHEMBL4100730 — — 1 7.05
CHEMBL4073762 — — 2 7.04
CHEMBL4101370 — — 1 7.02
CHEMBL4098342 — — 1 6.97
CHEMBL4073961 — — 1 6.86
CHEMBL4082055 — — 1 6.67
CHEMBL4102950 — — 1 6.62
CHEMBL4098338 — — 1 6.52
CHEMBL4101740 — — 1 6.49
CHEMBL4095204 — — 1 6.47
CHEMBL4076403 — — 1 6.37
CHEMBL4082806 — — 1 6.31
CHEMBL4065347 — — 1 6.28
CHEMBL4060170 — — 1 6.02
CHEMBL4105356 — — 1 6.02
CHEMBL4079620 — — 1 6.00
CHEMBL4059917 — — 1 5.95

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4071232 — IC50 = 6.0 nM 8.22
CHEMBL4078671 — IC50 = 8.0 nM 8.10
CHEMBL4062586 — IC50 = 12.0 nM 7.92
CHEMBL4067777 — IC50 = 18.0 nM 7.75
CHEMBL4102283 — IC50 = 19.0 nM 7.72
CHEMBL4093016 — IC50 = 37.0 nM 7.43
CHEMBL4069598 — IC50 = 43.0 nM 7.37
CHEMBL4080667 — IC50 = 43.5 nM 7.36
CHEMBL4083748 — IC50 = 45.0 nM 7.35
CHEMBL4080667 — IC50 = 50.3 nM 7.30
CHEMBL4087497 — IC50 = 53.0 nM 7.28
CHEMBL4090613 — IC50 = 54.0 nM 7.27
CHEMBL4080314 — IC50 = 65.0 nM 7.19
CHEMBL4086816 BMS-816336 IC50 = 68.0 nM 7.17
CHEMBL4100730 — IC50 = 89.0 nM 7.05
CHEMBL4073762 — IC50 = 91.1 nM 7.04
CHEMBL4101370 — IC50 = 96.0 nM 7.02
CHEMBL4098342 — IC50 = 106.0 nM 6.97
CHEMBL4073961 — IC50 = 138.0 nM 6.86
CHEMBL4073762 — IC50 = 149.7 nM 6.83
CHEMBL4082055 — IC50 = 215.0 nM 6.67
CHEMBL4102950 — IC50 = 238.0 nM 6.62
CHEMBL4098338 — IC50 = 302.0 nM 6.52
CHEMBL4101740 — IC50 = 324.0 nM 6.49
CHEMBL4095204 — IC50 = 337.0 nM 6.47
CHEMBL4076403 — IC50 = 428.0 nM 6.37
CHEMBL4082806 — IC50 = 488.0 nM 6.31
CHEMBL4065347 — IC50 = 520.0 nM 6.28
CHEMBL4060170 — IC50 = 957.0 nM 6.02
CHEMBL4105356 — IC50 = 951.0 nM 6.02
CHEMBL4079620 — IC50 = 1000.0 nM 6.00
CHEMBL4059917 — IC50 = 1119.0 nM 5.95
CHEMBL4068932 — IC50 = 1291.0 nM 5.89
CHEMBL4064360 — IC50 = 1581.0 nM 5.80
CHEMBL4060930 — IC50 = 1733.0 nM 5.76
CHEMBL4084290 — IC50 = 1846.0 nM 5.73
CHEMBL4062203 — IC50 = 1880.0 nM 5.73
CHEMBL4104712 — IC50 = 2069.0 nM 5.68
CHEMBL4088172 — IC50 = 2402.0 nM 5.62
CHEMBL4097650 — IC50 = 2992.0 nM 5.52
CHEMBL4078021 — IC50 = 3092.0 nM 5.51
CHEMBL4094542 — IC50 = 5678.0 nM 5.25
CHEMBL4085901 — IC50 = 6334.0 nM 5.20
CHEMBL4085280 — IC50 = 10000.0 nM 5.00