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Assay Detail

CHEMBL1259305

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Binding
Inhibition of HIV1 integrase 3'-strand transfer
35
Total Activities
35
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

Design of a series of bicyclic HIV-1 integrase inhibitors. Part 1: selection of the scaffold.
Jones ED, Vandegraaff N, Le G, Choi N, Issa W, Macfarlane K, Thienthong N, Winfield LJ, Coates JA, Lu L, Li X, Feng X, Yu C, Rhodes DI, Deadman JJ.
Bioorg Med Chem Lett (2010) 20 : 5913 -5917
PubMed 20727748 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 6.33 7.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL522653 1 7.60
CHEMBL1258612 1 7.12
CHEMBL1257580 1 7.10
CHEMBL1257819 1 7.07
CHEMBL1258162 1 6.96
CHEMBL1258046 1 6.89
CHEMBL1257935 1 6.89
CHEMBL518520 RALTEGRAVIR POTASSIUM 4.0 1 6.89
CHEMBL1257936 1 6.87
CHEMBL1257575 1 6.77
CHEMBL1258045 1 6.71
CHEMBL1257576 1 6.61
CHEMBL1257697 1 6.56
CHEMBL1257696 1 6.37
CHEMBL1258501 1 6.35
CHEMBL499184 1 6.23
CHEMBL1258956 1 6.20
CHEMBL1257818 1 6.12
CHEMBL1257223 1 5.95
CHEMBL1258958 1 5.37
CHEMBL1257345 1 5.29
CHEMBL1258840 1 4.87
CHEMBL1258720 1 4.69
CHEMBL1258957 1 4.48
CHEMBL1257224 1 -
CHEMBL1257344 1 -
CHEMBL1258842 1 -
CHEMBL1258841 1 -
CHEMBL1258721 1 -
CHEMBL1258613 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL522653 IC50 = 25.0 nM 7.60
CHEMBL1258612 IC50 = 76.8 nM 7.12
CHEMBL1257580 IC50 = 80.0 nM 7.10
CHEMBL1257819 IC50 = 85.0 nM 7.07
CHEMBL1258162 IC50 = 110.0 nM 6.96
CHEMBL1258046 IC50 = 130.0 nM 6.89
CHEMBL1257935 IC50 = 130.0 nM 6.89
CHEMBL518520 RALTEGRAVIR POTASSIUM IC50 = 130.0 nM 6.89
CHEMBL1257936 IC50 = 135.0 nM 6.87
CHEMBL1257575 IC50 = 170.0 nM 6.77
CHEMBL1258045 IC50 = 195.0 nM 6.71
CHEMBL1257576 IC50 = 245.0 nM 6.61
CHEMBL1257697 IC50 = 275.0 nM 6.56
CHEMBL1257696 IC50 = 429.0 nM 6.37
CHEMBL1258501 IC50 = 445.0 nM 6.35
CHEMBL499184 IC50 = 587.0 nM 6.23
CHEMBL1258956 IC50 = 626.0 nM 6.20
CHEMBL1257818 IC50 = 755.0 nM 6.12
CHEMBL1257223 IC50 = 1130.0 nM 5.95
CHEMBL1258958 IC50 = 4250.0 nM 5.37
CHEMBL1257345 IC50 = 5100.0 nM 5.29
CHEMBL1258840 IC50 = 13650.0 nM 4.87
CHEMBL1258720 IC50 = 20250.0 nM 4.69
CHEMBL1258957 IC50 = 33250.0 nM 4.48
CHEMBL1258278 IC50 - -
CHEMBL1258277 IC50 - -
CHEMBL1258163 IC50 - -
CHEMBL1257456 IC50 > 10000.0 nM -
CHEMBL1257455 IC50 > 10000.0 nM -
CHEMBL1258613 IC50 > 100000.0 nM -
CHEMBL1258721 IC50 > 100000.0 nM -
CHEMBL1258841 IC50 > 30000.0 nM -
CHEMBL1258842 IC50 > 10000.0 nM -
CHEMBL1257344 IC50 > 30000.0 nM -
CHEMBL1257224 IC50 > 50000.0 nM -