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Assay Detail

CHEMBL3705445

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

Binding
Biochemical Assay: Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacement assay.The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps ofa) providing a reaction mixture containing:the PARP protein isoform under investigation,a compound of formula (IP): wherein R10 is hydrogen or methyl, B is (CH2)nNH group, n is 2 to 6; m is 0 or 1 and X− is a counterion, and serial dilutions of the test compound;b) comparing the polarization signal generated in the absence of the test compound with the one generated in the presence of different concentrations of the test compound, andc) evaluating the ability of the test compound to displace the compound of formula (IP) as defined above indicated from a decreased fluorescence polarization level. The polarization signal can be measured, e.g., by a plate reader such as the Saphire2 (Tecan).
46
Total Activities
46
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Poly [ADP-ribose] polymerase 1 (CHEMBL3740)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors
(2014)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 46 6.28 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3606021 1 8.00
CHEMBL3605985 1 7.40
CHEMBL3606024 1 7.10
CHEMBL3699004 1 7.10
CHEMBL3605984 1 7.10
CHEMBL3698978 1 7.05
CHEMBL3606016 1 7.00
CHEMBL3605998 1 6.96
CHEMBL3698977 1 6.85
CHEMBL3698976 1 6.80
CHEMBL3699003 1 6.80
CHEMBL3606015 1 6.72
CHEMBL3698987 1 6.70
CHEMBL3698994 1 6.64
CHEMBL3698995 1 6.58
CHEMBL3698996 1 6.58
CHEMBL3698989 1 6.52
CHEMBL3698993 1 6.52
CHEMBL3698988 1 6.50
CHEMBL3606018 1 6.48
CHEMBL3698997 1 6.48
CHEMBL3699002 1 6.44
CHEMBL3698990 1 6.42
CHEMBL3698975 1 6.41
CHEMBL3698974 1 6.40
CHEMBL3605995 1 6.39
CHEMBL3699001 1 6.30
CHEMBL3606023 1 6.30
CHEMBL3606019 1 6.28
CHEMBL3698998 1 6.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3606021 IC50 = 10.0 nM 8.00
CHEMBL3605985 IC50 = 40.0 nM 7.40
CHEMBL3699004 IC50 = 80.0 nM 7.10
CHEMBL3605984 IC50 = 80.0 nM 7.10
CHEMBL3606024 IC50 = 80.0 nM 7.10
CHEMBL3698978 IC50 = 90.0 nM 7.05
CHEMBL3606016 IC50 = 100.0 nM 7.00
CHEMBL3605998 IC50 = 110.0 nM 6.96
CHEMBL3698977 IC50 = 140.0 nM 6.85
CHEMBL3698976 IC50 = 160.0 nM 6.80
CHEMBL3699003 IC50 = 160.0 nM 6.80
CHEMBL3606015 IC50 = 190.0 nM 6.72
CHEMBL3698987 IC50 = 200.0 nM 6.70
CHEMBL3698994 IC50 = 230.0 nM 6.64
CHEMBL3698996 IC50 = 260.0 nM 6.58
CHEMBL3698995 IC50 = 260.0 nM 6.58
CHEMBL3698989 IC50 = 300.0 nM 6.52
CHEMBL3698993 IC50 = 300.0 nM 6.52
CHEMBL3698988 IC50 = 320.0 nM 6.50
CHEMBL3606018 IC50 = 330.0 nM 6.48
CHEMBL3698997 IC50 = 330.0 nM 6.48
CHEMBL3699002 IC50 = 360.0 nM 6.44
CHEMBL3698990 IC50 = 380.0 nM 6.42
CHEMBL3698975 IC50 = 390.0 nM 6.41
CHEMBL3698974 IC50 = 400.0 nM 6.40
CHEMBL3605995 IC50 = 410.0 nM 6.39
CHEMBL3699001 IC50 = 500.0 nM 6.30
CHEMBL3606023 IC50 = 500.0 nM 6.30
CHEMBL3606019 IC50 = 530.0 nM 6.28
CHEMBL3698998 IC50 = 620.0 nM 6.21
CHEMBL3698992 IC50 = 900.0 nM 6.05
CHEMBL3698991 IC50 = 1100.0 nM 5.96
CHEMBL3605996 IC50 = 1100.0 nM 5.96
CHEMBL3606014 IC50 = 1560.0 nM 5.81
CHEMBL3698980 IC50 = 2300.0 nM 5.64
CHEMBL3699000 IC50 = 2660.0 nM 5.58
CHEMBL3606003 IC50 = 3000.0 nM 5.52
CHEMBL3698981 IC50 = 3950.0 nM 5.40
CHEMBL3606000 IC50 = 4420.0 nM 5.36
CHEMBL3698979 IC50 = 4600.0 nM 5.34
CHEMBL3698999 IC50 = 5310.0 nM 5.28
CHEMBL3698985 IC50 = 5770.0 nM 5.24
CHEMBL3606001 IC50 = 5990.0 nM 5.22
CHEMBL3606005 IC50 = 6600.0 nM 5.18
CHEMBL3698986 IC50 = 7100.0 nM 5.15
CHEMBL3605997 IC50 = 9890.0 nM 5.00