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Assay Detail

CHEMBL968064

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Binding
Inhibition of HIV1 recombinant integrase strand transfer activity
27
Total Activities
27
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

Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection.
Summa V, Petrocchi A, Bonelli F, Crescenzi B, Donghi M, Ferrara M, Fiore F, Gardelli C, Gonzalez Paz O, Hazuda DJ, Jones P, Kinzel O, Laufer R, Monteagudo E, Muraglia E, Nizi E, Orvieto F, Pace P, Pescatore G, Scarpelli R, Stillmock K, Witmer MV, Rowley M.
J Med Chem (2008) 51 : 5843 -5855
PubMed 18763751 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 7.93 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL492465 1 8.70
CHEMBL492464 1 8.52
CHEMBL517136 1 8.40
CHEMBL522374 1 8.40
CHEMBL517428 1 8.40
CHEMBL462045 1 8.22
CHEMBL492667 1 8.15
CHEMBL518491 1 8.15
CHEMBL460771 1 8.15
CHEMBL460977 1 8.10
CHEMBL524164 1 8.10
CHEMBL461405 1 8.05
CHEMBL495331 1 8.00
CHEMBL493295 1 7.92
CHEMBL460770 1 7.82
CHEMBL493920 1 7.82
CHEMBL254316 RALTEGRAVIR 4.0 1 7.82
CHEMBL495332 1 7.82
CHEMBL505332 1 7.75
CHEMBL461406 1 7.70
CHEMBL510093 1 7.70
CHEMBL461652 1 7.68
CHEMBL492682 1 7.58
CHEMBL386515 1 7.30
CHEMBL386710 1 7.22
CHEMBL493291 1 6.64
CHEMBL492683 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL492465 IC50 = 2.0 nM 8.70
CHEMBL492464 IC50 = 3.0 nM 8.52
CHEMBL517136 IC50 = 4.0 nM 8.40
CHEMBL522374 IC50 = 4.0 nM 8.40
CHEMBL517428 IC50 = 4.0 nM 8.40
CHEMBL462045 IC50 = 6.0 nM 8.22
CHEMBL492667 IC50 = 7.0 nM 8.15
CHEMBL518491 IC50 = 7.0 nM 8.15
CHEMBL460771 IC50 = 7.0 nM 8.15
CHEMBL460977 IC50 = 8.0 nM 8.10
CHEMBL524164 IC50 = 8.0 nM 8.10
CHEMBL461405 IC50 = 9.0 nM 8.05
CHEMBL495331 IC50 = 10.0 nM 8.00
CHEMBL493295 IC50 = 12.0 nM 7.92
CHEMBL460770 IC50 = 15.0 nM 7.82
CHEMBL493920 IC50 = 15.0 nM 7.82
CHEMBL254316 RALTEGRAVIR IC50 = 15.0 nM 7.82
CHEMBL495332 IC50 = 15.0 nM 7.82
CHEMBL505332 IC50 = 18.0 nM 7.75
CHEMBL461406 IC50 = 20.0 nM 7.70
CHEMBL510093 IC50 = 20.0 nM 7.70
CHEMBL461652 IC50 = 21.0 nM 7.68
CHEMBL492682 IC50 = 26.0 nM 7.58
CHEMBL386515 IC50 = 50.0 nM 7.30
CHEMBL386710 IC50 = 60.0 nM 7.22
CHEMBL493291 IC50 = 230.0 nM 6.64
CHEMBL492683 IC50 > 5000.0 nM -