IP3 [Ligand Id: 4222] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL279107 (1,4,5-InsP3, Ionositol 1,4,5-Triphosphate)
  • Inositol 1,4,5-trisphosphate binding protein in Rat [ChEMBL: CHEMBL3364] [UniProtKB: Q62688]
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  • IP3R1/Inositol 1,4,5-trisphosphate receptor type 1 in Human [ChEMBL: CHEMBL4046] [GtoPdb: 743] [UniProtKB: Q14643]
  • IP3R1/Inositol 1,4,5-trisphosphate receptor type 1 in Rat [ChEMBL: CHEMBL2804] [GtoPdb: 743] [UniProtKB: P29994]
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  • IP3R3/Inositol 1,4,5-trisphosphate receptor type 3 in Human [ChEMBL: CHEMBL3904] [GtoPdb: 745] [UniProtKB: Q14573]
  • Inositol 1,4,5-trisphosphate receptor type 3 in Bovine [ChEMBL: CHEMBL2853] [UniProtKB: Q8WN95]
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  • IP3 kinase A/Inositol-trisphosphate 3-kinase A in Rat [ChEMBL: CHEMBL3261] [GtoPdb: 1447] [UniProtKB: P17105]
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  • Type 1 InsP3 receptor isoform S2 in Pig [ChEMBL: CHEMBL2950] [UniProtKB: P79248]
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  • INPP5A/Type I inositol-1,4,5-trisphosphate 5-phosphatase in Human [ChEMBL: CHEMBL4243] [GtoPdb: 1453] [UniProtKB: Q14642]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Inositol 1,4,5-trisphosphate binding protein in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3364] [UniProtKB: Q62688]
ChEMBL Compound was tested for inhibition of specific [3H]Ins(1,4,5)P3 binding to Inositol 1,4,5-trisphosphate receptor in rat cerebellar membranes. B 6.82 pIC50 150 nM IC50 Bioorg. Med. Chem. Lett. (1996) 6: 2197-2200
ChEMBL Compound was tested for inhibition of specific [3H]Ins(1,4,5)P3 binding to Inositol 1,4,5-trisphosphate receptor in rat cerebellar membranes. B 7.4 pIC50 40 nM IC50 Bioorg. Med. Chem. Lett. (1996) 6: 2197-2200
IP3R1/Inositol 1,4,5-trisphosphate receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4046] [GtoPdb: 743] [UniProtKB: Q14643]
ChEMBL Dissociation constant using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor B 6.59 pKd 260 nM Kd Bioorg. Med. Chem. Lett. (2002) 12: 911-913 [PMID:11958992]
ChEMBL Binding affinity against Ins(1,4,5)P3 receptor in swiss 3T3 cells B 6.52 pIC50 300 nM IC50 Bioorg. Med. Chem. Lett. (1995) 5: 1225-1230
IP3R1/Inositol 1,4,5-trisphosphate receptor type 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2804] [GtoPdb: 743] [UniProtKB: P29994]
ChEMBL Displacement of [3H]-InsP3 from rat type-1 InsP3 receptor expressed in sf9 cell membranes in cytosol like medium containing Mg-ATP B 6.89 pKd 128.82 nM Kd MedChemComm (2018) 9: 1105-1113
ChEMBL Displacement of [3H]-InsP3 from rat type-1 InsP3 receptor expressed in sf9 cell membranes in cytosol like medium containing Mg-ATP B 6.89 pKd 128 nM Kd MedChemComm (2018) 9: 1105-1113
ChEMBL Displacement of [3H]IP3 from full-length rat recombinant IP3R1 expressed in chicken DT40 cells by equilibrium competitive binding assay B 7.9 pKd 12.5 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 N-terminal residue (1-604) K52E mutant expressed in chicken DT40 cells by equilibrium competitive binding assay B 8.58 pKd 2.64 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant N-terminal IP3R1 (1-604) expressed in chicken DT40 cells by equilibrium competitive binding assay B 8.63 pKd 2.32 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 N-terminal residue (1-604) D34K mutant expressed in chicken DT40 cells by equilibrium competitive binding assay B 9.01 pKd 0.98 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 N-terminal residue (1-604) R36E mutant expressed in chicken DT40 cells by equilibrium competitive binding assay B 9.34 pKd 0.46 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 N-terminal residue (1-604) K127E mutant expressed in chicken DT40 cells by equilibrium competitive binding assay B 9.35 pKd 0.45 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 N-terminal residue (1-604) V33K mutant expressed in chicken DT40 cells by equilibrium competitive binding assay B 9.57 pKd 0.27 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Displacement of [3H]IP3 from rat recombinant IP3R1 binding core residue (224-604) expressed in chicken DT40 cells by equilibrium competitive binding assay B 9.68 pKd 0.21 nM Kd Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Agonist activity at rat recombinant IP3R1 K52E mutant expressed in chicken DT40 cells assessed as calcium release from intracellular stores F 7.07 pEC50 85 nM EC50 Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Agonist activity at rat type-1 InsP3 receptor expressed in chicken DT40 cells in cytosol like medium assessed as increase in calcium release by fluorescence assay B 7.21 pEC50 62 nM EC50 MedChemComm (2018) 9: 1105-1113
ChEMBL Agonist activity at rat type-1 InsP3 receptor expressed in chicken DT40 cells in cytosol like medium assessed as increase in calcium release by fluorescence assay B 7.21 pEC50 61.66 nM EC50 MedChemComm (2018) 9: 1105-1113
ChEMBL Agonist activity at rat recombinant IP3R1 R36E mutant expressed in chicken DT40 cells assessed as calcium release from intracellular stores F 7.39 pEC50 40.8 nM EC50 Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Agonist activity at rat recombinant IP3R1 D34K mutant expressed in chicken DT40 cells assessed as calcium release from intracellular stores F 7.58 pEC50 26.6 nM EC50 Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells F 7.61 pEC50 24.8 nM EC50 J. Med. Chem. (2006) 49: 1900-1909 [PMID:16539376]
ChEMBL Activity at rat IP3 type 1 receptor expressed in DT40 cell assessed as calcium ion mobilization F 7.61 pEC50 24.8 nM EC50 J. Med. Chem. (2006) 49: 5750-5758 [PMID:16970399]
ChEMBL Agonist activity at rat IP3R1 expressed in chicken DT40 cells assessed as induction of Ca2+ release F 7.64 pEC50 23 nM EC50 J. Med. Chem. (2012) 55: 1706-1720 [PMID:22248345]
ChEMBL Agonist activity at rat recombinant IP3R1 V33K mutant expressed in chicken DT40 cells assessed as calcium release from intracellular stores F 7.65 pEC50 22.3 nM EC50 Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
ChEMBL Agonist activity at rat recombinant IP3R1 expressed in chicken DT40 cells assessed as calcium release from intracellular stores F 7.7 pEC50 20 nM EC50 Nat. Chem. Biol. (2009) 5: 631-639 [PMID:19668195]
IP3R3/Inositol 1,4,5-trisphosphate receptor type 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3904] [GtoPdb: 745] [UniProtKB: Q14573]
ChEMBL Dissociation constant of compound was measured in IP3-binding domain(IBD) of human Inositol 1,4,5-trisphosphate receptor at pH 7.4 B 6.71 pKd 195 nM Kd Bioorg. Med. Chem. Lett. (1999) 9: 1697-1702 [PMID:10397504]
Inositol 1,4,5-trisphosphate receptor type 3 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2853] [UniProtKB: Q8WN95]
ChEMBL Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes. B 4.85 pIC50 14000 nM IC50 J. Med. Chem. (1999) 42: 4824-4835 [PMID:10579845]
IP3 kinase A/Inositol-trisphosphate 3-kinase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3261] [GtoPdb: 1447] [UniProtKB: P17105]
ChEMBL Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli B 4.36 pIC50 43700 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2981-2984 [PMID:12941316]
ChEMBL Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli B 5.2 pIC50 6300 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2981-2984 [PMID:12941316]
ChEMBL Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli B 5.59 pIC50 2600 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2981-2984 [PMID:12941316]
Type 1 InsP3 receptor isoform S2 in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2950] [UniProtKB: P79248]
ChEMBL Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine cerebellum membrane B 7.7 pIC50 20 nM IC50 Bioorg. Med. Chem. Lett. (1995) 5: 831-834
INPP5A/Type I inositol-1,4,5-trisphosphate 5-phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4243] [GtoPdb: 1453] [UniProtKB: Q14642]
ChEMBL Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate) B 4.82 pKi 15000 nM Ki J. Med. Chem. (1993) 36: 3035-3038 [PMID:8411022]

ChEMBL data shown on this page come from version 26:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]