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Assay Detail

CHEMBL649943

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Functional
Antagonistic activity against C-C chemokine receptor type 5
6
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

C-C chemokine receptor type 5 (CHEMBL274)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Piperazine-based CCR5 antagonists as HIV-1 inhibitors. IV. Discovery of 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]- 4-[4-[2-methoxy-1(R)-4-(trifluoromethyl)phenyl]ethyl-3(S)-methyl-1-piperazinyl]- 4-methylpiperidine (Sch-417690/Sch-D), a potent, highly selective, and orally bioavailable CCR5 antagonist.
Tagat JR, McCombie SW, Nazareno D, Labroli MA, Xiao Y, Steensma RW, Strizki JM, Baroudy BM, Cox K, Lachowicz J, Varty G, Watkins R.
J Med Chem (2004) 47 : 2405 -2408
PubMed 15115380 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 6 8.67 8.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL432170 1 8.96
CHEMBL79061 1 8.85
CHEMBL312344 1 8.80
CHEMBL82301 VICRIVIROC 3.0 1 8.60
CHEMBL311795 1 8.55
CHEMBL263555 1 8.28

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL432170 Ki = 1.1 nM 8.96
CHEMBL79061 Ki = 1.4 nM 8.85
CHEMBL312344 Ki = 1.6 nM 8.80
CHEMBL82301 VICRIVIROC Ki = 2.5 nM 8.60
CHEMBL311795 Ki = 2.8 nM 8.55
CHEMBL263555 Ki = 5.2 nM 8.28