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Assay Detail

CHEMBL701720

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Binding
Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer
22
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 9 — Direct single protein target
Curated By Expert

Target

Human immunodeficiency virus type 1 integrase (CHEMBL3471)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Developing a dynamic pharmacophore model for HIV-1 integrase.
Carlson HA, Masukawa KM, Rubins K, Bushman FD, Jorgensen WL, Lins RD, Briggs JM, McCammon JA.
J Med Chem (2000) 43 : 2100 -2114
PubMed 10841789 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.74 6.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL63592 1 6.89
CHEMBL292992 1 6.52
CHEMBL177126 2 6.34
CHEMBL553067 1 6.30
CHEMBL164 MYRICETIN 1 6.22
CHEMBL413552 QUERCETAGETIN 1 6.22
CHEMBL441250 1 6.18
CHEMBL67076 1 6.00
CHEMBL304722 1 6.00
CHEMBL29898 QUINALIZARIN 1 6.00
CHEMBL431948 1 5.97
CHEMBL53463 DOXORUBICIN 4.0 1 5.62
CHEMBL67535 1 5.52
CHEMBL430786 1 5.44
CHEMBL541123 1 5.39
CHEMBL68073 1 5.30
CHEMBL67233 1 5.11
CHEMBL58 MITOXANTRONE 4.0 1 5.10
CHEMBL66854 1 4.85
CHEMBL216962 1 4.71
CHEMBL284616 CHLOROGENIC ACID 2.0 1 4.34

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL63592 IC50 = 130.0 nM 6.89
CHEMBL292992 IC50 = 300.0 nM 6.52
CHEMBL177126 IC50 = 460.0 nM 6.34
CHEMBL553067 IC50 = 500.0 nM 6.30
CHEMBL177126 IC50 = 540.0 nM 6.27
CHEMBL164 MYRICETIN IC50 = 600.0 nM 6.22
CHEMBL413552 QUERCETAGETIN IC50 = 600.0 nM 6.22
CHEMBL441250 IC50 = 660.0 nM 6.18
CHEMBL67076 IC50 = 1000.0 nM 6.00
CHEMBL304722 IC50 = 1000.0 nM 6.00
CHEMBL29898 QUINALIZARIN IC50 = 1000.0 nM 6.00
CHEMBL431948 IC50 = 1080.0 nM 5.97
CHEMBL53463 DOXORUBICIN IC50 = 2400.0 nM 5.62
CHEMBL67535 IC50 = 3000.0 nM 5.52
CHEMBL430786 IC50 = 3600.0 nM 5.44
CHEMBL541123 IC50 = 4100.0 nM 5.39
CHEMBL68073 IC50 = 5000.0 nM 5.30
CHEMBL67233 IC50 = 7800.0 nM 5.11
CHEMBL58 MITOXANTRONE IC50 = 8000.0 nM 5.10
CHEMBL66854 IC50 = 14000.0 nM 4.85
CHEMBL216962 IC50 = 19700.0 nM 4.71
CHEMBL284616 CHLOROGENIC ACID IC50 = 45800.0 nM 4.34