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Assay Detail

CHEMBL1211287

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Binding
Inhibition of HIV-1 integrase
48
Total Activities
48
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

CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase.
Lu P, Wei X, Zhang R.
Eur J Med Chem (2010) 45 : 3413 -3419
PubMed 20488589 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 48 7.27 8.25

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL561619 1 8.25
CHEMBL550220 1 8.24
CHEMBL550080 1 8.24
CHEMBL565125 1 8.22
CHEMBL560836 1 8.17
CHEMBL204656 ELVITEGRAVIR 4.0 1 8.14
CHEMBL206604 1 8.09
CHEMBL563677 1 8.09
CHEMBL549816 1 8.05
CHEMBL203443 1 8.05
CHEMBL557891 1 8.01
CHEMBL549549 1 7.92
CHEMBL408699 1 7.84
CHEMBL563525 1 7.83
CHEMBL550893 1 7.68
CHEMBL379664 1 7.62
CHEMBL549546 1 7.60
CHEMBL562360 1 7.59
CHEMBL561099 1 7.51
CHEMBL558481 1 7.50
CHEMBL560439 1 7.47
CHEMBL563162 1 7.46
CHEMBL561100 1 7.42
CHEMBL554722 1 7.42
CHEMBL549611 1 7.39
CHEMBL559903 1 7.37
CHEMBL550895 1 7.36
CHEMBL242883 1 7.30
CHEMBL549750 1 7.30
CHEMBL551437 1 7.26

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL561619 IC50 = 5.623 nM 8.25
CHEMBL550220 IC50 = 5.754 nM 8.24
CHEMBL550080 IC50 = 5.754 nM 8.24
CHEMBL565125 IC50 = 6.026 nM 8.22
CHEMBL560836 IC50 = 6.761 nM 8.17
CHEMBL204656 ELVITEGRAVIR IC50 = 7.244 nM 8.14
CHEMBL206604 IC50 = 8.128 nM 8.09
CHEMBL563677 IC50 = 8.128 nM 8.09
CHEMBL549816 IC50 = 8.913 nM 8.05
CHEMBL203443 IC50 = 8.913 nM 8.05
CHEMBL557891 IC50 = 9.772 nM 8.01
CHEMBL549549 IC50 = 12.02 nM 7.92
CHEMBL408699 IC50 = 14.45 nM 7.84
CHEMBL563525 IC50 = 14.79 nM 7.83
CHEMBL550893 IC50 = 20.89 nM 7.68
CHEMBL379664 IC50 = 23.99 nM 7.62
CHEMBL549546 IC50 = 25.12 nM 7.60
CHEMBL562360 IC50 = 25.7 nM 7.59
CHEMBL561099 IC50 = 30.9 nM 7.51
CHEMBL558481 IC50 = 31.62 nM 7.50
CHEMBL560439 IC50 = 33.88 nM 7.47
CHEMBL563162 IC50 = 34.67 nM 7.46
CHEMBL561100 IC50 = 38.02 nM 7.42
CHEMBL554722 IC50 = 38.02 nM 7.42
CHEMBL549611 IC50 = 40.74 nM 7.39
CHEMBL559903 IC50 = 42.66 nM 7.37
CHEMBL550895 IC50 = 43.65 nM 7.36
CHEMBL242883 IC50 = 50.12 nM 7.30
CHEMBL549750 IC50 = 50.12 nM 7.30
CHEMBL551437 IC50 = 54.95 nM 7.26
CHEMBL561827 IC50 = 64.57 nM 7.19
CHEMBL560234 IC50 = 69.18 nM 7.16
CHEMBL558286 IC50 = 77.62 nM 7.11
CHEMBL558287 IC50 = 83.18 nM 7.08
CHEMBL550691 IC50 = 83.18 nM 7.08
CHEMBL551235 IC50 = 114.82 nM 6.94
CHEMBL561437 IC50 = 213.8 nM 6.67
CHEMBL549405 IC50 = 251.19 nM 6.60
CHEMBL559705 IC50 = 371.54 nM 6.43
CHEMBL559704 IC50 = 407.38 nM 6.39
CHEMBL561423 IC50 = 501.19 nM 6.30
CHEMBL554504 IC50 = 676.08 nM 6.17
CHEMBL549338 IC50 = 724.44 nM 6.14
CHEMBL560960 IC50 = 794.33 nM 6.10
CHEMBL560761 IC50 = 1071.52 nM 5.97
CHEMBL549404 IC50 = 1174.9 nM 5.93
CHEMBL382680 IC50 = 1621.81 nM 5.79
CHEMBL557480 IC50 = 2290.87 nM 5.64