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Assay Detail

CHEMBL701725

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Binding
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.
24
Total Activities
23
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

Structure-activity relationships: analogues of the dicaffeoylquinic and dicaffeoyltartaric acids as potent inhibitors of human immunodeficiency virus type 1 integrase and replication.
King PJ, Ma G, Miao W, Jia Q, McDougall BR, Reinecke MG, Cornell C, Kuan J, Kim TR, Robinson WE.
J Med Chem (1999) 42 : 497 -509
PubMed 9986720 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 6.05 7.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL29660 CHICORIC ACID 1 7.16
CHEMBL63592 2 7.10
CHEMBL415678 1 6.37
CHEMBL30868 1 6.28
CHEMBL149674 1 6.22
CHEMBL149893 1 6.10
CHEMBL148364 1 6.06
CHEMBL357646 1 6.01
CHEMBL146489 1 6.00
CHEMBL149826 1 5.99
CHEMBL357831 1 5.97
CHEMBL249447 1 5.89
CHEMBL358821 1 5.85
CHEMBL487258 CYNARIN 1 5.80
CHEMBL440354 1 5.79
CHEMBL149178 1 5.75
CHEMBL149475 1 5.62
CHEMBL146179 1 5.16
CHEMBL149305 1 5.08
CHEMBL348709 1 -
CHEMBL31026 1 -
CHEMBL286477 1 -
CHEMBL149306 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL29660 CHICORIC ACID IC50 = 70.0 nM 7.16
CHEMBL63592 IC50 = 80.0 nM 7.10
CHEMBL63592 IC50 = 180.0 nM 6.75
CHEMBL415678 IC50 = 430.0 nM 6.37
CHEMBL30868 IC50 = 520.0 nM 6.28
CHEMBL149674 IC50 = 600.0 nM 6.22
CHEMBL149893 IC50 = 800.0 nM 6.10
CHEMBL148364 IC50 = 880.0 nM 6.06
CHEMBL357646 IC50 = 970.0 nM 6.01
CHEMBL146489 IC50 = 1010.0 nM 6.00
CHEMBL149826 IC50 = 1030.0 nM 5.99
CHEMBL357831 IC50 = 1070.0 nM 5.97
CHEMBL249447 IC50 = 1300.0 nM 5.89
CHEMBL358821 IC50 = 1400.0 nM 5.85
CHEMBL487258 CYNARIN IC50 = 1600.0 nM 5.80
CHEMBL440354 IC50 = 1630.0 nM 5.79
CHEMBL149178 IC50 = 1800.0 nM 5.75
CHEMBL149475 IC50 = 2380.0 nM 5.62
CHEMBL146179 IC50 = 6900.0 nM 5.16
CHEMBL149305 IC50 = 8360.0 nM 5.08
CHEMBL31026 IC50 > 10000.0 nM -
CHEMBL348709 IC50 > 10000.0 nM -
CHEMBL286477 IC50 > 10000.0 nM -
CHEMBL149306 IC50 > 10000.0 nM -