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ChEMBL ligand: CHEMBL2419706 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis | B | 4.72 | pIC50 | >19000 | nM | IC50 | J Med Chem (2013) 56: 6495-6511 [PMID:23844574] |
ChEMBL | Biochemical Assay: The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 μL of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 μM, 20 nM of purified enzyme, and 250 μM of β-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 μL of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 μL of the 5× quenching solution per well was added prior to the addition of β-NAD+. | B | 4.72 | pIC50 | >19000 | nM | IC50 | US-9181266-B2. 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2015) |
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) assessed as nicotinamide concentration by LC-MS analysis | B | 4.49 | pIC50 | 32000 | nM | IC50 | J Med Chem (2013) 56: 6495-6511 [PMID:23844574] |
ChEMBL | Biochemical Assay: The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 μL of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 μM, 20 nM of purified enzyme, and 250 μM of β-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 μL of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 μL of the 5× quenching solution per well was added prior to the addition of β-NAD+. | B | 4.72 | pIC50 | >19000 | nM | IC50 | US-9181266-B2. 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2015) |
Protein Wnt-3a in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255137] [UniProtKB: P56704] | ||||||||
ChEMBL | Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin | B | 8.46 | pIC50 | 3.5 | nM | IC50 | J Med Chem (2013) 56: 6495-6511 [PMID:23844574] |
tankyrase/Tankyrase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271] | ||||||||
ChEMBL | Biochemical Assay: The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 μL of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 μM, 20 nM of purified enzyme, and 250 μM of β-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 μL of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 μL of the 5× quenching solution per well was added prior to the addition of β-NAD+. | B | 7.81 | pIC50 | 15.5 | nM | IC50 | US-9181266-B2. 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2015) |
GtoPdb | - | - | 7.81 | pIC50 | 15.5 | nM | IC50 | WO2013012723A1. Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2013) |
tankyrase 2/Tankyrase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2] | ||||||||
GtoPdb | - | - | 8.22 | pIC50 | 6 | nM | IC50 |
J Med Chem (2013) 56: 6495-511 [PMID:23844574]; WO2013012723A1. Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2013) |
ChEMBL | Inhibition of TNSK2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2013) 56: 6495-6511 [PMID:23844574] |
ChEMBL | Biochemical Assay: The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 μL of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 μM, 20 nM of purified enzyme, and 250 μM of β-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 μL of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 μL of the 5× quenching solution per well was added prior to the addition of β-NAD+. | B | 8.22 | pIC50 | 6 | nM | IC50 | US-9181266-B2. 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors (2015) |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]