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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate receptor type 3' AND taxid = 9913   
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 1,4,5-trisphosphate receptor type 3


(Bos taurus)
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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Article
26.4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its ability to displace [3H]Ins(1,4,5)P3 from membranes prepared from bovine adrenal corticles


Citation and Details
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50069314
PNG
(CHEMBL346769 | D-MYO-INOSITOL 1,2,4,5-TETRAKISPHOS...)
Show SMILES O[C@H]1[C@@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](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)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)/p-8/t1-,2-,3-,4-,5-,6+/m1/s1
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PubMed
n/an/a 13.4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity towards Inositol 1,4,5-trisphosphate receptor was evaluated by the standard competitive binding assay using 1.25 nM [3H]-D-I(1,4,5)P...


Bioorg Med Chem Lett 8: 659-62 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50069313
PNG
(CHEMBL158474 | Phosphoric acid mono-((1S,2S,3R,4S,...)
Show SMILES O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](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)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)/t1-,2-,3-,4-,5-,6+/m0/s1
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PubMed
n/an/a 598n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity towards Inositol 1,4,5-trisphosphate receptor was evaluated by the standard competitive binding assay using 1.25 nM [3H]-D-I(1,4,5)P...


Bioorg Med Chem Lett 8: 659-62 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082885
PNG
(CHEMBL144954 | Phosphoric acid mono-((1R,2R,3S,4R,...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](C[C@@H]1OP(O)(O)=O)OP(O)(O)=O
Show InChI InChI=1S/C6H15O14P3/c7-4-2(18-21(9,10)11)1-3(19-22(12,13)14)6(5(4)8)20-23(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5-,6-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082887
PNG
(CHEMBL18162 | Phosphoric acid mono-((1R,2S,3S,4R,5...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](F)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H14FO14P3/c7-1-4(19-22(10,11)12)2(8)3(9)6(21-24(16,17)18)5(1)20-23(13,14)15/h1-6,8-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082886
PNG
(CHEMBL355920 | Phosphoric acid mono-((1R,2R,3R,4R,...)
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 3.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082888
PNG
(CHEMBL278700 | Phosphoric acid mono-((1R,3R,4R)-3,...)
Show SMILES OP(O)(=O)O[C@@H]1CC[C@@H](OP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C6H15O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/t4-,5-,6-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
BDBM50082889
PNG
(CHEMBL145009 | Phosphoric acid mono-((1R,2S,3S,4R,...)
Show SMILES N[C@H]1[C@H](OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-4(19-22(10,11)12)2(8)3(9)6(21-24(16,17)18)5(1)20-23(13,14)15/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 3


(Bos taurus)
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 1.40E+4n/an/an/an/an/an/a



Laboratoire de Pharmacochimie de la Communication Cellulaire UMR 7081 du CNRS

Curated by ChEMBL


Assay Description
Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.


J Med Chem 42: 4824-35 (1999)

More data for this
Ligand-Target Pair