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Assay Detail

CHEMBL4719898

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

ADMET
Inhibition of CYP2C8 (unknown origin)
2
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 2C8 (CHEMBL3721)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Asymmetric Hydroboration Approach to the Scalable Synthesis of ((1R,3S)-1-Amino-3-((R)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol (BMS-986104) as a Potent S1P Receptor Modulator.
Yang MG,Xiao Z,Dhar TG,Xiao HY,Gilmore JL,Marcoux D,Xie JH,McIntyre KW,Taylor TL,Borowski V,Heimrich E,Li YW,Feng J,Fernandes A,Yang Z,Balimane P,Marino AM,Cornelius G,Warrack BM,Mathur A,Wu DR,Li P,Gupta A,Pragalathan B,Shen DR,Cvijic ME,Lehman-McKeeman LD,Salter-Cid L,Barrish JC,Carter PH,Dyckman AJ
J Med Chem (2016) 59 : 11138 -11147
PubMed 28002964 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 5.40 5.50

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4750944 1 5.50
CHEMBL3806158 BMS-986104 1.0 1 5.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4750944 IC50 = 3200.0 nM 5.50
CHEMBL3806158 BMS-986104 IC50 = 5000.0 nM 5.30