NVP‐TNKS656 [Ligand Id: 10674] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2419706
  • poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase-1 in Human [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874]
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  • poly(ADP-ribose) polymerase 2/Poly [ADP-ribose] polymerase 2 in Human [ChEMBL: CHEMBL5366] [GtoPdb: 2772] [UniProtKB: Q9UGN5]
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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 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)
ChEMBL Inhibition of PARP2 (unknown origin) using NAD as substrate incubated for 1 min B 4.72 pIC50 >19000 nM IC50 J Med Chem (2021) 64: 4257-4288 [PMID:33822624]
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 34:

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]