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Assay Detail

CHEMBL998725

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Binding
Inhibition of HIV1 integrase by overall integration assay
22
Total Activities
22
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 Autocuration

Target

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

Publication

Investigations on the 4-quinolone-3-carboxylic acid motif. 1. Synthesis and structure-activity relationship of a class of human immunodeficiency virus type 1 integrase inhibitors.
Pasquini S, Mugnaini C, Tintori C, Botta M, Trejos A, Arvela RK, Larhed M, Witvrouw M, Michiels M, Christ F, Debyser Z, Corelli F.
J Med Chem (2008) 51 : 5125 -5129
PubMed 18665580 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.30 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL204656 ELVITEGRAVIR 4.0 1 8.70
CHEMBL522229 1 7.30
CHEMBL458279 1 7.16
CHEMBL458280 1 6.05
CHEMBL497490 1 6.00
CHEMBL497661 1 5.34
CHEMBL511508 1 5.32
CHEMBL526642 1 5.25
CHEMBL497489 1 5.01
CHEMBL497505 1 4.97
CHEMBL497506 1 4.73
CHEMBL498491 1 4.42
CHEMBL498504 1 4.36
CHEMBL496491 1 4.26
CHEMBL497475 1 4.14
CHEMBL496476 1 4.13
CHEMBL526269 1 4.11
CHEMBL458483 1 4.06
CHEMBL444410 1 -
CHEMBL498490 1 -
CHEMBL498321 1 -
CHEMBL497476 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL204656 ELVITEGRAVIR IC50 = 2.0 nM 8.70
CHEMBL522229 IC50 = 50.0 nM 7.30
CHEMBL458279 IC50 = 70.0 nM 7.16
CHEMBL458280 IC50 = 900.0 nM 6.05
CHEMBL497490 IC50 = 1000.0 nM 6.00
CHEMBL497661 IC50 = 4600.0 nM 5.34
CHEMBL511508 IC50 = 4800.0 nM 5.32
CHEMBL526642 IC50 = 5600.0 nM 5.25
CHEMBL497489 IC50 = 9700.0 nM 5.01
CHEMBL497505 IC50 = 10800.0 nM 4.97
CHEMBL497506 IC50 = 18700.0 nM 4.73
CHEMBL498491 IC50 = 38000.0 nM 4.42
CHEMBL498504 IC50 = 43700.0 nM 4.36
CHEMBL496491 IC50 = 54900.0 nM 4.26
CHEMBL497475 IC50 = 71900.0 nM 4.14
CHEMBL496476 IC50 = 73900.0 nM 4.13
CHEMBL526269 IC50 = 77600.0 nM 4.11
CHEMBL458483 IC50 = 86900.0 nM 4.06
CHEMBL444410 IC50 > 100000.0 nM -
CHEMBL498490 IC50 > 100000.0 nM -
CHEMBL498321 IC50 > 100000.0 nM -
CHEMBL497476 IC50 > 100000.0 nM -