BDBM50075183 1,4,5-Insp3::1D-myo-inositol 1,4,5-triphosphate::1D-myo-inositol 1,4,5-tris(dihydrogen phosphate)::1D-myo-inositol 1,4,5-trisphosphate::3,5,6-trioxyphosphate-1,2,4-cyclohexanetriol::CHEMBL279107::D-myo-inositol 1,4,5-trisphosphate::IP3::InsP3

SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O

InChI Key InChIKey=MMWCIQZXVOZEGG-UHFFFAOYSA-N

Data  1 KI  11 IC50  8 Kd  10 EC50

PDB links: 59 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50075183   

TargetInositol-trisphosphate 3-kinase A(Rat)
Pohang University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 4.37E+4nMAssay Description:Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  126nMAssay Description:Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  126nMAssay Description:Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  8.70nMAssay Description:Displacement of [3H]-IP3 from IP3R1 in Wistar rat cerebellar membrane measured after 5 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  133nMAssay Description:Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  8.70nMAssay Description:Displacement of [3H]IP3 from rat IP3R1 expressed in human HEK cells assessed as dissociation constant by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  8.70nMAssay Description:Displacement of [3H]IP3 from rat IP3R1 expressed in human HEK cells assessed as dissociation constant by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  209nMAssay Description:Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  132nMAssay Description:Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  209nMAssay Description:Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 4.40nMAssay Description:The compound was tested for inhibitory activity against IInositol 1,4,5-trisphosphate receptor in SH-SY5Y cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInositol 1,4,5-trisphosphate receptor type 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 34nMAssay Description:The compound was tested for inhibitory activity against Inositol 1,4,5-trisphosphate receptor in L15 cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInositol 1,4,5-trisphosphate receptor type 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 52nMAssay Description:The compound was tested for inhibitory activity against Inositol 1,4,5-trisphosphate receptor in SH-SY5Y cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  23nMAssay Description:Agonist activity at rat IP3R1 expressed in chicken DT40 cells assessed as induction of Ca2+ releaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 40nMAssay Description: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.More data for this Ligand-Target Pair
In DepthDetails Article

LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 40nMAssay Description: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.More data for this Ligand-Target Pair
In DepthDetails Article

LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 20nMAssay Description:Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine...More data for this Ligand-Target Pair
In DepthDetails Article
PDB3D3D Structure (crystal)
TargetInositol-trisphosphate 3-kinase A(Rat)
Pohang University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 6.30E+3nMAssay Description:Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol-trisphosphate 3-kinase A(Rat)
Pohang University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 4.37E+4nMAssay Description:Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  24.8nMAssay Description:Activity at rat IP3 type 1 receptor expressed in DT40 cell assessed as calcium ion mobilizationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  0.210nMAssay Description:Displacement of [3H]IP3 from rat recombinant IP3R1 binding core residue (224-604) expressed in chicken DT40 cells by equilibrium competitive binding ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  2.32nMAssay Description:Displacement of [3H]IP3 from rat recombinant N-terminal IP3R1 (1-604) expressed in chicken DT40 cells by equilibrium competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  12.5nMAssay Description:Displacement of [3H]IP3 from full-length rat recombinant IP3R1 expressed in chicken DT40 cells by equilibrium competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  20nMAssay Description:Agonist activity at rat recombinant IP3R1 expressed in chicken DT40 cells assessed as calcium release from intracellular storesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataEC50:  24.8nMAssay Description:Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  260nMAssay Description:Dissociation constant using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 3(Bovine)
Laboratoire De Pharmacochimie De La Communication Cellulaire Umr 7081 Du Cnrs

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 1.40E+4nMAssay Description:Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 3(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKd:  195nMpH: 7.4Assay Description:Dissociation constant of compound was measured in IP3-binding domain(IBD) of human Inositol 1,4,5-trisphosphate receptor at pH 7.4More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetInositol 1,4,5-trisphosphate receptor type 1(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataIC50: 300nMAssay Description:Binding affinity against Ins(1,4,5)P3 receptor in swiss 3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PDB3D3D Structure (crystal)
TargetInositol polyphosphate-5-phosphatase A(Human)
Mayo Foundation

Curated by ChEMBL
LigandPNGBDBM50075183(1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) |...)
Affinity DataKi:  1.50E+4nMAssay Description:Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed