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Assay Detail

CHEMBL3607349

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measured after 15 mins by immunocytochemical analysis
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HeLa
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy.
Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.
J Med Chem (2015) 58 : 6875 -6898
PubMed 26222319 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 6.04 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3605985 1 7.40
CHEMBL3606021 1 7.40
CHEMBL3606024 1 7.05
CHEMBL3606016 1 7.00
CHEMBL3605998 1 6.96
CHEMBL3606018 1 6.82
CHEMBL3605978 1 6.70
CHEMBL3606008 1 6.43
CHEMBL3606023 1 6.30
CHEMBL3606017 1 6.25
CHEMBL3606010 1 6.00
CHEMBL3605996 1 5.96
CHEMBL1329044 1 5.94
CHEMBL3606014 1 5.80
CHEMBL3606022 1 5.72
CHEMBL3605986 1 5.70
CHEMBL3605976 1 5.67
CHEMBL3605983 1 5.65
CHEMBL3606003 1 5.52
CHEMBL3605967 1 5.28
CHEMBL3606006 1 5.27
CHEMBL3606001 1 5.22
CHEMBL3606005 1 5.18
CHEMBL3605997 1 5.00
CHEMBL3606007 1 4.87
CHEMBL3605999 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3605985 IC50 = 40.0 nM 7.40
CHEMBL3606021 IC50 = 40.0 nM 7.40
CHEMBL3606024 IC50 = 90.0 nM 7.05
CHEMBL3606016 IC50 = 100.0 nM 7.00
CHEMBL3605998 IC50 = 110.0 nM 6.96
CHEMBL3606018 IC50 = 150.0 nM 6.82
CHEMBL3605978 IC50 = 200.0 nM 6.70
CHEMBL3606008 IC50 = 370.0 nM 6.43
CHEMBL3606023 IC50 = 500.0 nM 6.30
CHEMBL3606017 IC50 = 560.0 nM 6.25
CHEMBL3606010 IC50 = 1000.0 nM 6.00
CHEMBL3605996 IC50 = 1100.0 nM 5.96
CHEMBL1329044 IC50 = 1140.0 nM 5.94
CHEMBL3606014 IC50 = 1600.0 nM 5.80
CHEMBL3606022 IC50 = 1900.0 nM 5.72
CHEMBL3605986 IC50 = 2000.0 nM 5.70
CHEMBL3605976 IC50 = 2150.0 nM 5.67
CHEMBL3605983 IC50 = 2250.0 nM 5.65
CHEMBL3606003 IC50 = 3000.0 nM 5.52
CHEMBL3605967 IC50 = 5300.0 nM 5.28
CHEMBL3606006 IC50 = 5400.0 nM 5.27
CHEMBL3606001 IC50 = 6000.0 nM 5.22
CHEMBL3606005 IC50 = 6600.0 nM 5.18
CHEMBL3605997 IC50 = 9900.0 nM 5.00
CHEMBL3606007 IC50 = 13400.0 nM 4.87
CHEMBL3605999 IC50 > 10000.0 nM -