atamparib [Ligand Id: 13118] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL5095043 (Atamparib, Rbn 2397, Rbn-2397, RBN-2397, RBN2397) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874] | ||||||||
| ChEMBL | Inhibition of N-terminal GST tagged human recombinant PARP1 (2 to 1014 residues) preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis | B | 6.95 | pIC50 | 111 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of PARP1 (unknown origin) | B | 7.43 | pIC50 | 37 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of PARP1 (unknown origin) by probe displacement assay | B | 7.43 | pIC50 | 37 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of PARP1 (unknown origin) | B | 7.47 | pIC50 | 34 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged PARP1 (2 to 1014 end residues) incubated for 1 hr by ELISA assay | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP1 (unknown origin) measured after 1 hr incubation by microplate reader assay | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| poly(ADP-ribose) polymerase 2/Poly [ADP-ribose] polymerase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5366] [GtoPdb: 2772] [UniProtKB: Q9UGN5] | ||||||||
| ChEMBL | Inhibition of PARP2 (unknown origin) | B | 7.76 | pIC50 | 17.4 | nM | IC50 | Eur J Med Chem (2024) 266: 116160-116160 [PMID:38277917] |
| ChEMBL | Inhibition of PARP2 (unknown origin) | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP2 (unknown origin) | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of PARP2 (unknown origin) by probe displacement assay | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of N-terminal GST tagged human PARP2 (2 to 583 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis | B | 8.28 | pIC50 | 5.3 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| tankyrase/Poly [ADP-ribose] polymerase tankyrase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271] | ||||||||
| ChEMBL | Inhibition of TNKS1 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged PARP5a (1001 to 1327 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of N-terminal GST tagged human PARP5A (1001 to 1327 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of PARP5A (unknown origin) | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of TNKS1 (unknown origin) by probe displacement assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| tankyrase 2/Poly [ADP-ribose] polymerase tankyrase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2] | ||||||||
| ChEMBL | Inhibition of N-terminal GST tagged human PARP5B (667 to 1166 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of TNKS2 (unknown origin) | B | 5.35 | pIC50 | 4500 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of PARP5B (unknown origin) | B | 5.35 | pIC50 | 4500 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of TNKS2 (unknown origin) by probe displacement assay | B | 5.35 | pIC50 | 4500 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged PARP5b (667 to 1166 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 5.46 | pIC50 | 3446 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| poly(ADP-ribose) polymerase family member 10/Protein mono-ADP-ribosyltransferase PARP10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2429708] [GtoPdb: 3267] [UniProtKB: Q53GL7] | ||||||||
| ChEMBL | Inhibition of PARP10 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged / C-terminal Strep-tagged PARP10 (805 to 1025 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP10 (unknown origin) by probe displacement assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| poly(ADP-ribose) polymerase family member 11/Protein mono-ADP-ribosyltransferase PARP11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2380189] [GtoPdb: 3268] [UniProtKB: Q9NR21] | ||||||||
| ChEMBL | Inhibition of PARP11 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of PARP11 (unknown origin) by probe displacement assay | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged / C-terminal His-tagged PARP11 (8 to 338 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 5.64 | pIC50 | 2281 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| Protein mono-ADP-ribosyltransferase PARP12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2429709] [UniProtKB: Q9H0J9] | ||||||||
| ChEMBL | Inhibition of PARP12 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged PARP12 (500 to 701 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP12 (unknown origin) by probe displacement assay | B | 7.6 | pIC50 | 25 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| poly(ADP-ribose) polymerase family member 14/Protein mono-ADP-ribosyltransferase PARP14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2176777] [GtoPdb: 3269] [UniProtKB: Q460N5] | ||||||||
| ChEMBL | Inhibition of human recombinant N-terminal 6his-tagged / GST-tagged PARP14 (1470 to 1801 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP14 (unknown origin) by probe displacement assay | B | 5.3 | pIC50 | >5000 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of PARP14 (unknown origin) | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| Protein mono-ADP-ribosyltransferase PARP16 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105981] [UniProtKB: Q8N5Y8] | ||||||||
| ChEMBL | Inhibition of PARP16 (unknown origin) | B | 4.6 | pIC50 | 25000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| poly (ADP-ribose) polymerase 3/Protein mono-ADP-ribosyltransferase PARP3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5083] [GtoPdb: 2864] [UniProtKB: Q9Y6F1] | ||||||||
| ChEMBL | Inhibition of PARP3 (unknown origin) | B | 5.74 | pIC50 | 1800 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| Protein mono-ADP-ribosyltransferase PARP4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6142] [UniProtKB: Q9UKK3] | ||||||||
| ChEMBL | Inhibition of PARP4 (unknown origin) | B | 5.04 | pIC50 | 9200 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| Protein mono-ADP-ribosyltransferase PARP6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2380187] [UniProtKB: Q2NL67] | ||||||||
| ChEMBL | Inhibition of PARP6 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| Protein mono-ADP-ribosyltransferase PARP8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3091262] [UniProtKB: Q8N3A8] | ||||||||
| ChEMBL | Inhibition of PARP8 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| Protein mono-ADP-ribosyltransferase PARP9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295895] [UniProtKB: Q8IXQ6] | ||||||||
| ChEMBL | Inhibition of PARP9 (unknown origin) | B | 4.3 | pIC50 | >50000 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| TCDD inducible poly(ADP-ribose) polymerase/Protein mono-ADP-ribosyltransferase TIPARP in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2380188] [GtoPdb: 3266] [UniProtKB: Q7Z3E1] | ||||||||
| ChEMBL | Binding affinity to PARP7 (unknown origin) assessed as dissociation constant | B | 9.66 | pKd | 0.22 | nM | Kd | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Binding affinity to PARP7 (unknown origin) assessed as dissociation constant | B | 9.66 | pKd | 0.22 | nM | Kd | Eur J Med Chem (2023) 261: 115836-115836 [PMID:37826932] |
| GtoPdb | Binding affinity | - | 9.66 | pKd | 0.22 | nM | Kd | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Enzymatic Assay for Inhibition of PARP7: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 μL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6xHis and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. Control wells containing a negative control of 0.25% DMSO vehicle or a positive control of 100 μM Example 190 were used to calculate the % inhibition as described below:% inhibition = 100 × TRF cmpd - TRF min TRF max - TRF minwhere TRFcmpd is the TR-FRET ratio from the compound treated well, TRFmin is the TR-FRET ratio from the Example 190-treated positive control well and TRFmax is the TR-FRET ratio from the DMSO-treated negative control well.The % inhibition values were plotted as a function of compound concentration and the following 4-parameter fit was applied to derive the IC50 the values:Y = Bottom + ( Top - Bottom ) ( 1 + ( X IC 50 ) Hill Coefficientwhere top and bottom are normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient is normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and x is the compound concentration. | B | 7 | pIC50 | <100 | nM | IC50 | US-10550105-B2. Pyridazinones as PARP7 inhibitors (2020) |
| ChEMBL | Enzymatic Assay: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 μL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. | B | 7 | pIC50 | <100 | nM | IC50 | US-11014913-B2. Pyridazinones as PARP7 inhibitors (2021) |
| ChEMBL | Enzymatic Assay: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 μL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. | B | 7 | pIC50 | <100 | nM | IC50 | US-11014913-B2. Pyridazinones as PARP7 inhibitors (2021) |
| ChEMBL | Enzymatic Assay: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 JAL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision plate reader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. | B | 7 | pIC50 | <100 | nM | IC50 | US-10870641-B2. Pyridazinones as PARP7 inhibitors (2020) |
| ChEMBL | Enzymatic Assay: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 JAL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision plate reader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. | B | 7 | pIC50 | <100 | nM | IC50 | US-10870641-B2. Pyridazinones as PARP7 inhibitors (2020) |
| ChEMBL | Enzymatic Assay for Inhibition of PARP7: Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 μL volume by adding 6 μL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 μL of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6xHis and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 μs delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. Control wells containing a negative control of 0.25% DMSO vehicle or a positive control of 100 μM Example 190 were used to calculate the % inhibition as described below:% inhibition = 100 × TRF cmpd - TRF min TRF max - TRF minwhere TRFcmpd is the TR-FRET ratio from the compound treated well, TRFmin is the TR-FRET ratio from the Example 190-treated positive control well and TRFmax is the TR-FRET ratio from the DMSO-treated negative control well.The % inhibition values were plotted as a function of compound concentration and the following 4-parameter fit was applied to derive the IC50 the values:Y = Bottom + ( Top - Bottom ) ( 1 + ( X IC 50 ) Hill Coefficientwhere top and bottom are normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient is normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and x is the compound concentration. | B | 7 | pIC50 | <100 | nM | IC50 | US-10550105-B2. Pyridazinones as PARP7 inhibitors (2020) |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged PARP7 (400 to 657(end) residues) expressed in Sf9 cells | B | 8.1 | pIC50 | 8 | nM | IC50 | J Med Chem (2023) 66: 14095-14115 [PMID:37843892] |
| ChEMBL | Inhibition of PARP7 (unknown origin) measured after 1 hr incubation by microplate reader assay | B | 8.25 | pIC50 | 5.6 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged PARP7 (400 to 657 end residues) incubated for 1 hr by ELISA assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG tagged PARP7 (400 to 657 end residues) incubated for 1 hr by ELISA assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2023) 66: 473-490 [PMID:36576395] |
| ChEMBL | Inhibition of PARP7 (unknown origin) incubated for 1 hr by chemiluminescence based microplate reader assay | B | 8.51 | pIC50 | 3.1 | nM | IC50 | Eur J Med Chem (2024) 266: 116160-116160 [PMID:38277917] |
| ChEMBL | Inhibition of N-terminal FLAG tagged human PARP7 (400 to 657 residues) preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis | B | 8.51 | pIC50 | 3.1 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of PARP7 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay | B | 8.51 | pIC50 | 3.06 | nM | IC50 | Eur J Med Chem (2023) 261: 115836-115836 [PMID:37826932] |
| GtoPdb | - | - | 8.52 | pIC50 | 3 | nM | IC50 | Eur J Med Chem (2022) 237: 114362 [PMID:35500474] |
| ChEMBL | Inhibition of PARP7 (unknown origin) incubated for 30 mins by TR-FRET assay | B | 8.52 | pIC50 | <3 | nM | IC50 | J Med Chem (2023) 66: 1301-1320 [PMID:36598465] |
| ChEMBL | Inhibition of PARP7 (unknown origin) | B | 8.52 | pIC50 | <3 | nM | IC50 | J Med Chem (2024) 67: 4950-4976 [PMID:38456618] |
| ChEMBL | Inhibition of PARP7 (unknown origin) | B | 8.52 | pIC50 | <3 | nM | IC50 | J Med Chem (2022) 65: 7532-7560 [PMID:35608571] |
| ChEMBL | Inhibition of PARP7 (unknown origin) by probe displacement assay | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2024) 67: 1932-1948 [PMID:38059836] |
| ChEMBL | Displacement of fluorescent labeled RBN011198 from human NanoLuc-tagged full-length PARP7 expressed in HEK293T cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Eur J Med Chem (2022) 237: 114362-114362 [PMID:35500474] |
| ChEMBL | Inhibition of PARP7 (unknown origin) | B | 8.52 | pIC50 | <3 | nM | IC50 | Eur J Med Chem (2023) 261: 115836-115836 [PMID:37826932] |
| ChEMBL | Inhibition of PARP7 (unknown origin) | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2023) 66: 14095-14115 [PMID:37843892] |
ChEMBL data shown on this page come from version 36:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
