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Assay Detail

CHEMBL986586

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Binding
Inhibition of PARP1
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Poly [ADP-ribose] polymerase 1 (CHEMBL3105)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and SAR of novel, potent and orally bioavailable benzimidazole inhibitors of poly(ADP-ribose) polymerase (PARP) with a quaternary methylene-amino substituent.
Zhu GD, Gandhi VB, Gong J, Thomas S, Luo Y, Liu X, Shi Y, Klinghofer V, Johnson EF, Frost D, Donawho C, Jarvis K, Bouska J, Marsh KC, Rosenberg SH, Giranda VL, Penning TD.
Bioorg Med Chem Lett (2008) 18 : 3955 -3958
PubMed 18586490 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 31 7.56 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL481084 1 8.52
CHEMBL481081 1 8.40
CHEMBL479779 1 8.15
CHEMBL517843 1 8.15
CHEMBL481082 1 8.05
CHEMBL479780 1 8.05
CHEMBL479778 1 8.00
CHEMBL480895 1 7.92
CHEMBL479937 1 7.82
CHEMBL520922 1 7.77
CHEMBL520745 1 7.75
CHEMBL481083 1 7.72
CHEMBL481097 1 7.72
CHEMBL480896 1 7.62
CHEMBL448924 1 7.60
CHEMBL508903 1 7.60
CHEMBL481477 1 7.50
CHEMBL517373 1 7.48
CHEMBL479384 1 7.46
CHEMBL482055 1 7.43
CHEMBL480198 1 7.39
CHEMBL481478 1 7.35
CHEMBL480322 1 7.30
CHEMBL481285 1 7.30
CHEMBL445050 1 7.28
CHEMBL479777 1 7.24
CHEMBL444957 1 7.21
CHEMBL121765 1 7.00
CHEMBL481096 1 6.85
CHEMBL133694 1 6.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL481084 Ki = 3.0 nM 8.52
CHEMBL481081 Ki = 4.0 nM 8.40
CHEMBL479779 Ki = 7.0 nM 8.15
CHEMBL517843 Ki = 7.0 nM 8.15
CHEMBL481082 Ki = 9.0 nM 8.05
CHEMBL479780 Ki = 9.0 nM 8.05
CHEMBL479778 Ki = 10.0 nM 8.00
CHEMBL480895 Ki = 12.0 nM 7.92
CHEMBL479937 Ki = 15.0 nM 7.82
CHEMBL520922 Ki = 17.0 nM 7.77
CHEMBL520745 Ki = 18.0 nM 7.75
CHEMBL481083 Ki = 19.0 nM 7.72
CHEMBL481097 Ki = 19.0 nM 7.72
CHEMBL480896 Ki = 24.0 nM 7.62
CHEMBL448924 Ki = 25.0 nM 7.60
CHEMBL508903 Ki = 25.0 nM 7.60
CHEMBL481477 Ki = 32.0 nM 7.50
CHEMBL517373 Ki = 33.0 nM 7.48
CHEMBL479384 Ki = 35.0 nM 7.46
CHEMBL482055 Ki = 37.0 nM 7.43
CHEMBL480198 Ki = 41.0 nM 7.39
CHEMBL481478 Ki = 45.0 nM 7.35
CHEMBL480322 Ki = 50.0 nM 7.30
CHEMBL481285 Ki = 50.0 nM 7.30
CHEMBL445050 Ki = 53.0 nM 7.28
CHEMBL479777 Ki = 58.0 nM 7.24
CHEMBL444957 Ki = 61.0 nM 7.21
CHEMBL121765 Ki = 99.0 nM 7.00
CHEMBL481096 Ki = 140.0 nM 6.85
CHEMBL133694 Ki = 240.0 nM 6.62
CHEMBL445012 Ki = 870.0 nM 6.06