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Assay Detail

CHEMBL697789

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

Binding
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1
37
Total Activities
37
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

Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching.
Neamati N, Hong H, Mazumder A, Wang S, Sunder S, Nicklaus MC, Milne GW, Proksa B, Pommier Y.
J Med Chem (1997) 40 : 942 -951
PubMed 9083483 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 4.69 6.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL366356 DIGALLIC ACID 1 6.05
CHEMBL175266 1 5.96
CHEMBL174366 1 5.96
CHEMBL177126 1 5.89
CHEMBL285415 1 5.66
CHEMBL173530 STICTIC ACID 1 5.36
CHEMBL369379 1 5.12
CHEMBL174150 1 4.96
CHEMBL172418 1 4.89
CHEMBL176570 PSOROMIC ACID 1 4.77
CHEMBL173698 1 4.74
CHEMBL172439 SLAZINIC ACID 1 4.72
CHEMBL113891 1 4.69
CHEMBL174041 1 4.63
CHEMBL116973 1 4.45
CHEMBL17377 FOSTRIECIN 2.0 1 4.38
CHEMBL354416 1 4.36
CHEMBL177054 1 4.35
CHEMBL173117 1 4.30
CHEMBL173978 1 4.28
CHEMBL171896 1 4.28
CHEMBL368810 1 4.22
CHEMBL173395 ATRANORIN 1 4.21
CHEMBL176916 1 4.21
CHEMBL170358 1 4.21
CHEMBL368123 1 4.19
CHEMBL176754 1 4.18
CHEMBL172018 1 4.14
CHEMBL284616 CHLOROGENIC ACID 2.0 1 4.06
CHEMBL115145 1 4.04

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL366356 DIGALLIC ACID IC50 = 900.0 nM 6.05
CHEMBL175266 IC50 = 1100.0 nM 5.96
CHEMBL174366 IC50 = 1100.0 nM 5.96
CHEMBL177126 IC50 = 1300.0 nM 5.89
CHEMBL285415 IC50 = 2200.0 nM 5.66
CHEMBL173530 STICTIC ACID IC50 = 4400.0 nM 5.36
CHEMBL369379 IC50 = 7600.0 nM 5.12
CHEMBL174150 IC50 = 11000.0 nM 4.96
CHEMBL172418 IC50 = 12800.0 nM 4.89
CHEMBL176570 PSOROMIC ACID IC50 = 17000.0 nM 4.77
CHEMBL173698 IC50 = 18200.0 nM 4.74
CHEMBL172439 SLAZINIC ACID IC50 = 19000.0 nM 4.72
CHEMBL113891 IC50 = 20400.0 nM 4.69
CHEMBL174041 IC50 = 23600.0 nM 4.63
CHEMBL116973 IC50 = 35800.0 nM 4.45
CHEMBL17377 FOSTRIECIN IC50 = 41300.0 nM 4.38
CHEMBL354416 IC50 = 43700.0 nM 4.36
CHEMBL177054 IC50 = 45100.0 nM 4.35
CHEMBL173117 IC50 = 49700.0 nM 4.30
CHEMBL171896 IC50 = 52200.0 nM 4.28
CHEMBL173978 IC50 = 52700.0 nM 4.28
CHEMBL368810 IC50 = 59900.0 nM 4.22
CHEMBL173395 ATRANORIN IC50 = 61000.0 nM 4.21
CHEMBL176916 IC50 = 61700.0 nM 4.21
CHEMBL170358 IC50 = 61800.0 nM 4.21
CHEMBL368123 IC50 = 64700.0 nM 4.19
CHEMBL176754 IC50 = 66200.0 nM 4.18
CHEMBL172018 IC50 = 73000.0 nM 4.14
CHEMBL284616 CHLOROGENIC ACID IC50 = 87800.0 nM 4.06
CHEMBL115145 IC50 = 91300.0 nM 4.04
CHEMBL355757 IC50 = 91700.0 nM 4.04
CHEMBL368615 IC50 = 116000.0 nM -
CHEMBL176724 IC50 = 212200.0 nM -
CHEMBL175052 IC50 = 163400.0 nM -
CHEMBL368805 IC50 = 164600.0 nM -
CHEMBL367553 IC50 = 121700.0 nM -
CHEMBL368859 IC50 = 131500.0 nM -