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Assay Detail

CHEMBL649956

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

Binding
Binding affinity towards C-C chemokine receptor type 5
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

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

Publication

Piperazine-based CCR5 antagonists as HIV-1 inhibitors. II. Discovery of 1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4- methyl-4-[3(S)-methyl-4-[1(S)-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]- piperidine N1-oxide (Sch-350634), an orally bioavailable, potent CCR5 antagonist.
Tagat JR, Steensma RW, McCombie SW, Nazareno DV, Lin SI, Neustadt BR, Cox K, Xu S, Wojcik L, Murray MG, Vantuno N, Baroudy BM, Strizki JM.
J Med Chem (2001) 44 : 3343 -3346
PubMed 11585438 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 15 7.91 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL113072 1 8.52
CHEMBL113042 1 8.30
CHEMBL325276 1 8.30
CHEMBL115716 1 8.30
CHEMBL113154 1 8.30
CHEMBL111998 1 8.30
CHEMBL115487 1 8.15
CHEMBL325556 1 8.10
CHEMBL326020 1 7.92
CHEMBL112299 1 7.82
CHEMBL112659 1 7.70
CHEMBL322817 1 7.64
CHEMBL116008 1 7.52
CHEMBL113648 1 7.21
CHEMBL325957 1 6.56

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL113072 Ki = 3.0 nM 8.52
CHEMBL113042 Ki = 5.0 nM 8.30
CHEMBL325276 Ki = 5.0 nM 8.30
CHEMBL115716 Ki = 5.0 nM 8.30
CHEMBL113154 Ki = 5.0 nM 8.30
CHEMBL111998 Ki = 5.0 nM 8.30
CHEMBL115487 Ki = 7.0 nM 8.15
CHEMBL325556 Ki = 8.0 nM 8.10
CHEMBL326020 Ki = 12.0 nM 7.92
CHEMBL112299 Ki = 15.0 nM 7.82
CHEMBL112659 Ki = 20.0 nM 7.70
CHEMBL322817 Ki = 23.0 nM 7.64
CHEMBL116008 Ki = 30.0 nM 7.52
CHEMBL113648 Ki = 62.0 nM 7.21
CHEMBL325957 Ki = 275.0 nM 6.56