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Assay Detail

CHEMBL3887989

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Binding
PARP-1 Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incubated with different concentrations of compounds in a buffer containing 100 mM Tris-HCl pH 8.0, 100 mM NaCl, 20 mM MgCl2, and 1% DMSO for 30 min at RT. The auto-PARylation reaction was initiated by addition of 500 nM NAD and 20 ng/ul activated DNA (Sigma) and incubated at RT for 40 min. The remaining NAD was detected by incubation with cycling assay solution containing 1% ethanol, 0.30 U/ml alcohol dehydrogenase, 25 uM resazurin, and 0.25 U/ml diaphorase for 50 min at RT. The concentration of NAD is proportional to the fluorescence signal at Ex 540 nm/Em 590 nm.
70
Total Activities
68
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Fused tetra or penta-cyclic dihydrodiazepinocarbazolones as PARP inhibitors
(2016)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 70 7.96 9.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4112930 PAMIPARIB 3.0 1 9.05
CHEMBL4107982 1 8.96
CHEMBL3983859 1 8.64
CHEMBL3970252 2 8.59
CHEMBL3984980 1 8.54
CHEMBL3926240 1 8.48
CHEMBL3922789 1 8.48
CHEMBL3925115 1 8.48
CHEMBL3905389 1 8.42
CHEMBL3917078 1 8.35
CHEMBL3908123 1 8.32
CHEMBL3931972 1 8.29
CHEMBL3914932 2 8.28
CHEMBL3911687 1 8.28
CHEMBL3975917 1 8.26
CHEMBL3900548 1 8.24
CHEMBL3908092 1 8.24
CHEMBL3910080 1 8.22
CHEMBL3929705 1 8.22
CHEMBL3907218 1 8.22
CHEMBL3972156 1 8.20
CHEMBL3892363 1 8.20
CHEMBL3962648 1 8.19
CHEMBL3929889 1 8.19
CHEMBL3947623 1 8.18
CHEMBL3969742 1 8.17
CHEMBL3933450 1 8.15
CHEMBL3907535 1 8.15
CHEMBL3906623 1 8.14
CHEMBL3915929 1 8.12

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4112930 PAMIPARIB IC50 = 0.9 nM 9.05
CHEMBL4107982 IC50 = 1.1 nM 8.96
CHEMBL3983859 IC50 = 2.3 nM 8.64
CHEMBL3970252 IC50 = 2.6 nM 8.59
CHEMBL3984980 IC50 = 2.9 nM 8.54
CHEMBL3926240 IC50 = 3.3 nM 8.48
CHEMBL3922789 IC50 = 3.3 nM 8.48
CHEMBL3925115 IC50 = 3.3 nM 8.48
CHEMBL3905389 IC50 = 3.8 nM 8.42
CHEMBL3917078 IC50 = 4.5 nM 8.35
CHEMBL3908123 IC50 = 4.8 nM 8.32
CHEMBL3931972 IC50 = 5.1 nM 8.29
CHEMBL3911687 IC50 = 5.2 nM 8.28
CHEMBL3914932 IC50 = 5.2 nM 8.28
CHEMBL3914932 IC50 = 5.2 nM 8.28
CHEMBL3975917 IC50 = 5.5 nM 8.26
CHEMBL3908092 IC50 = 5.7 nM 8.24
CHEMBL3900548 IC50 = 5.8 nM 8.24
CHEMBL3910080 IC50 = 6.0 nM 8.22
CHEMBL3929705 IC50 = 6.0 nM 8.22
CHEMBL3907218 IC50 = 6.0 nM 8.22
CHEMBL3972156 IC50 = 6.3 nM 8.20
CHEMBL3892363 IC50 = 6.3 nM 8.20
CHEMBL3962648 IC50 = 6.5 nM 8.19
CHEMBL3929889 IC50 = 6.5 nM 8.19
CHEMBL3947623 IC50 = 6.6 nM 8.18
CHEMBL3969742 IC50 = 6.7 nM 8.17
CHEMBL3933450 IC50 = 7.0 nM 8.15
CHEMBL3907535 IC50 = 7.1 nM 8.15
CHEMBL3970252 IC50 = 7.2 nM 8.14
CHEMBL3906623 IC50 = 7.3 nM 8.14
CHEMBL3915929 IC50 = 7.6 nM 8.12
CHEMBL3930740 IC50 = 8.3 nM 8.08
CHEMBL3931542 IC50 = 8.5 nM 8.07
CHEMBL3955609 IC50 = 8.9 nM 8.05
CHEMBL3901034 IC50 = 9.1 nM 8.04
CHEMBL3978425 IC50 = 9.2 nM 8.04
CHEMBL3969049 IC50 = 10.0 nM 8.00
CHEMBL3891329 IC50 = 10.0 nM 8.00
CHEMBL3901638 IC50 = 11.0 nM 7.96
CHEMBL3898162 IC50 = 11.0 nM 7.96
CHEMBL3978989 IC50 = 11.0 nM 7.96
CHEMBL3923029 IC50 = 11.0 nM 7.96
CHEMBL3961684 IC50 = 11.4 nM 7.94
CHEMBL3905040 IC50 = 12.0 nM 7.92
CHEMBL3963459 IC50 = 14.0 nM 7.85
CHEMBL3906567 IC50 = 15.2 nM 7.82
CHEMBL3954603 IC50 = 15.0 nM 7.82
CHEMBL3895581 IC50 = 15.8 nM 7.80
CHEMBL3955636 IC50 = 16.0 nM 7.80