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Assay Detail

CHEMBL5154013

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Functional
Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Structure-Based Design of Tropane Derivatives as a Novel Series of CCR5 Antagonists with Broad-Spectrum Anti-HIV-1 Activities and Improved Oral Bioavailability.
Xie X, Zheng YG, Chen H, Li J, Luo RH, Chen L, Zheng CB, Zhang S, Peng P, Ma D, Yang LM, Zheng YT, Liu H, Wang J.
J Med Chem (2022) 65 : 16526 -16540
PubMed 36472561 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 7.64 8.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5171331 1 8.60
CHEMBL5180628 1 8.36
CHEMBL5177519 1 8.27
CHEMBL256907 MARAVIROC 4.0 1 8.10
CHEMBL5205216 1 8.10
CHEMBL5209067 1 8.08
CHEMBL5200961 1 8.03
CHEMBL5185201 1 7.93
CHEMBL5176665 1 7.82
CHEMBL5175220 1 7.80
CHEMBL5178121 1 7.72
CHEMBL5203084 1 7.72
CHEMBL5204027 1 7.67
CHEMBL5197247 1 7.50
CHEMBL5178495 1 7.39
CHEMBL5208613 1 7.35
CHEMBL4240742 1 7.17
CHEMBL5205626 1 7.14
CHEMBL5184527 1 6.17
CHEMBL5184978 1 5.86
CHEMBL5171807 1 -
CHEMBL5194455 1 -
CHEMBL5169473 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5171331 IC50 = 2.49 nM 8.60
CHEMBL5180628 IC50 = 4.36 nM 8.36
CHEMBL5177519 IC50 = 5.34 nM 8.27
CHEMBL256907 MARAVIROC IC50 = 8.0 nM 8.10
CHEMBL5205216 IC50 = 7.99 nM 8.10
CHEMBL5209067 IC50 = 8.34 nM 8.08
CHEMBL5200961 IC50 = 9.33 nM 8.03
CHEMBL5185201 IC50 = 11.76 nM 7.93
CHEMBL5176665 IC50 = 15.04 nM 7.82
CHEMBL5175220 IC50 = 15.9 nM 7.80
CHEMBL5178121 IC50 = 18.91 nM 7.72
CHEMBL5203084 IC50 = 18.91 nM 7.72
CHEMBL5204027 IC50 = 21.46 nM 7.67
CHEMBL5197247 IC50 = 31.89 nM 7.50
CHEMBL5178495 IC50 = 40.4 nM 7.39
CHEMBL5208613 IC50 = 45.08 nM 7.35
CHEMBL4240742 IC50 = 67.39 nM 7.17
CHEMBL5205626 IC50 = 72.74 nM 7.14
CHEMBL5184527 IC50 = 680.2 nM 6.17
CHEMBL5184978 IC50 = 1381.0 nM 5.86
CHEMBL5171807 IC50 > 10000.0 nM -
CHEMBL5194455 IC50 > 10000.0 nM -
CHEMBL5169473 IC50 > 10000.0 nM -