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Assay Detail

CHEMBL701718

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Binding
Integration of DNA by HIV -1 integrase
ChEMBL ↗
54
Total Activities
33
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

Coumarin-based inhibitors of HIV integrase.
Zhao H, Neamati N, Hong H, Mazumder A, Wang S, Sunder S, Milne GW, Pommier Y, Burke TR.
J Med Chem (1997) 40 : 242 -249
PubMed 9003523 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 54 4.82 6.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL32711 — — 1 6.48
CHEMBL293914 — — 1 6.10
CHEMBL315955 — — 2 5.92
CHEMBL314013 — — 1 5.75
CHEMBL309502 — — 1 5.45
CHEMBL84518 — — 2 5.43
CHEMBL284384 — — 2 5.43
CHEMBL83786 3,3'-(Ferrocenomethylene)bis[4-hydroxycoumarin] — 2 5.30
CHEMBL310293 — — 2 5.11
CHEMBL316387 — — 2 5.05
CHEMBL82974 — — 2 4.96
CHEMBL81935 — — 2 4.92
CHEMBL80104 — — 2 4.89
CHEMBL81144 — — 2 4.85
CHEMBL81797 — — 2 4.85
CHEMBL80018 — — 2 4.69
CHEMBL82742 — — 1 4.65
CHEMBL310188 — — 1 4.65
CHEMBL310585 — — 2 4.60
CHEMBL313509 — — 1 4.41
CHEMBL312727 — — 1 4.35
CHEMBL84340 — — 2 4.31
CHEMBL82696 — — 2 4.31
CHEMBL312008 — — 2 4.30
CHEMBL82828 — — 1 4.16
CHEMBL262114 — — 2 4.13
CHEMBL83968 — — 2 4.12
CHEMBL309505 — — 2 -
CHEMBL1466 DICUMAROL 4.0 1 -
CHEMBL82228 — — 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL32711 — IC50 = 330.0 nM 6.48
CHEMBL293914 — IC50 = 800.0 nM 6.10
CHEMBL315955 — IC50 = 1200.0 nM 5.92
CHEMBL314013 — IC50 = 1800.0 nM 5.75
CHEMBL315955 — IC50 = 2000.0 nM 5.70
CHEMBL309502 — IC50 = 3550.0 nM 5.45
CHEMBL284384 — IC50 = 3700.0 nM 5.43
CHEMBL84518 — IC50 = 3700.0 nM 5.43
CHEMBL83786 3,3'-(Ferrocenomethylene)bis[4-hydroxycoumarin] IC50 = 5000.0 nM 5.30
CHEMBL83786 3,3'-(Ferrocenomethylene)bis[4-hydroxycoumarin] IC50 = 7000.0 nM 5.16
CHEMBL310293 — IC50 = 7800.0 nM 5.11
CHEMBL316387 — IC50 = 9000.0 nM 5.05
CHEMBL284384 — IC50 = 9500.0 nM 5.02
CHEMBL310293 — IC50 = 9500.0 nM 5.02
CHEMBL82974 — IC50 = 11100.0 nM 4.96
CHEMBL81935 — IC50 = 12000.0 nM 4.92
CHEMBL84518 — IC50 = 12000.0 nM 4.92
CHEMBL80104 — IC50 = 13000.0 nM 4.89
CHEMBL81797 — IC50 = 14000.0 nM 4.85
CHEMBL81144 — IC50 = 14000.0 nM 4.85
CHEMBL316387 — IC50 = 16000.0 nM 4.80
CHEMBL80018 — IC50 = 20500.0 nM 4.69
CHEMBL310188 — IC50 = 22200.0 nM 4.65
CHEMBL82742 — IC50 = 22500.0 nM 4.65
CHEMBL81144 — IC50 = 23000.0 nM 4.64
CHEMBL81797 — IC50 = 24000.0 nM 4.62
CHEMBL81935 — IC50 = 24000.0 nM 4.62
CHEMBL310585 — IC50 = 25000.0 nM 4.60
CHEMBL82974 — IC50 = 27500.0 nM 4.56
CHEMBL80104 — IC50 = 28000.0 nM 4.55
CHEMBL80018 — IC50 = 33200.0 nM 4.48
CHEMBL313509 — IC50 = 38800.0 nM 4.41
CHEMBL312727 — IC50 = 44900.0 nM 4.35
CHEMBL84340 — IC50 = 49000.0 nM 4.31
CHEMBL82696 — IC50 = 49000.0 nM 4.31
CHEMBL312008 — IC50 = 50000.0 nM 4.30
CHEMBL82696 — IC50 = 54000.0 nM 4.27
CHEMBL82828 — IC50 = 69200.0 nM 4.16
CHEMBL84340 — IC50 = 70000.0 nM 4.16
CHEMBL262114 — IC50 = 74000.0 nM 4.13
CHEMBL83968 — IC50 = 76000.0 nM 4.12
CHEMBL262114 — IC50 = 75000.0 nM 4.12
CHEMBL312008 — IC50 = 88000.0 nM 4.06
CHEMBL310585 — IC50 = 97000.0 nM 4.01
CHEMBL309505 — IC50 = 133000.0 nM -
CHEMBL309505 — IC50 = 122000.0 nM -
CHEMBL1466 DICUMAROL IC50 > 100000.0 nM -
CHEMBL82228 — IC50 = 149000.0 nM -
CHEMBL82228 — IC50 = 148000.0 nM -
CHEMBL32810 — IC50 = 325000.0 nM -