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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Inositol-trisphosphate 3-kinase A' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50075183
PNG
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)
Show 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
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50075183
PNG
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)
Show 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
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132162
PNG
(CHEMBL102707 | Phosphoric acid mono-(2,3,4-trihydr...)
Show SMILES OC1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
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PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50075651
PNG
(1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...)
Show SMILES O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
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PubMed
n/an/a 2.78E+4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132166
PNG
(1,2,4,5-InsP4 | CHEMBL100498 | Phosphoric acid mon...)
Show SMILES OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
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PubMed
n/an/a 3.94E+4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132165
PNG
(CHEMBL103242 | Ins (1,3,5)p3 | Phosphoric acid mon...)
Show SMILES OC1C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C(O)C1OP(O)(O)=O
Show InChI InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
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PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132163
PNG
(CHEMBL103101 | Phosphoric acid mono-(2,3-dihydroxy...)
Show SMILES OC1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132163
PNG
(CHEMBL103101 | Phosphoric acid mono-(2,3-dihydroxy...)
Show SMILES OC1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)

More data for this
Ligand-Target Pair