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48 similar compounds to monomer 50132164

Compile data set for download or QSAR
Wt: 398.0
BDBM50046068
Wt: 366.0
BDBM50046074
Wt: 382.0
BDBM50046075
Wt: 500.0
BDBM50069313
Wt: 492.0
BDBM50069314
Wt: 420.0
BDBM50075183
Purchase
Wt: 420.0
BDBM50075647
Purchase
Wt: 434.1
BDBM50075648
Wt: 500.0
BDBM50075649
Wt: 500.0
BDBM50075650
Purchase
Wt: 500.0
BDBM50075651
Purchase
Wt: 404.0
BDBM50082885
Wt: 420.0
BDBM50082886
Purchase
Wt: 372.0
BDBM50082888
Wt: 420.0
BDBM50132165
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50046068,50046074,50046075,50069313,50069314,50075183,50075647,50075648,50075649,50075650,50075651,50082885,50082886,50082888,50132165   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens (Human))
BDBM50046068
PNG
(1D-3-deoxy- 1D-myo-Inositol 1,4,5-trisphosphate)
Show SMILES O[C@@H]1CC(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)6(20-23(15,16)17)4(8)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/p-6/t2-,3?,4-,5?,6+/m1/s1
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1.15E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


Article DOI: 10.1021/jm00072a027
BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens (Human))
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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1.50E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


Article DOI: 10.1021/jm00072a027
BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens (Human))
BDBM50046075
PNG
(1D-2,3,6--trioxy- 1D-myo-Inositol 1,4,5-trisphosph...)
Show SMILES O[C@@H]1C(CCC(OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O)OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O13P3/c7-5-3(17-20(8,9)10)1-2-4(18-21(11,12)13)6(5)19-22(14,15)16/h3-7H,1-2H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/p-6/t3?,4?,5-,6+/m1/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


Article DOI: 10.1021/jm00072a027
BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens (Human))
BDBM50046074
PNG
(1D-2,3,6--trideoxy- 1D-myo-Inositol 1,4,5-trisphos...)
Show SMILES [O-]P([O-])(=O)OC1CCC(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)/p-6/t4?,5?,6-/m1/s1
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8.14E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


Article DOI: 10.1021/jm00072a027
BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
BDBM50075647
PNG
(CHEMBL283791 | Phosphoric acid mono-((1R,2S,3R,4S,...)
Show SMILES O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O
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)/t1-,2-,3-,4+,5-,6-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
BDBM50075648
PNG
((1R,3S,4R,6R)-4,5,6-trihydroxy-2-methyl-2,3-bis(ph...)
Show SMILES C[C@@]1(OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C7H17O15P3/c1-7(22-25(17,18)19)5(20-23(11,12)13)3(9)2(8)4(10)6(7)21-24(14,15)16/h2-6,8-10H,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5+,6-,7-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
BDBM50075649
PNG
(1D-myo-inositol 1,4,5,6-tetrakis(dihydrogen phosph...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(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)/t1-,2+,3-,4-,5+,6+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
BDBM50075650
PNG
(1D-myo-inositol 3,4,5,6-tetrakisphosphate | 1L-myo...)
Show SMILES O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(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)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
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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n/an/a 2.90n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
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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n/an/an/a 195n/an/an/a7.4n/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant of compound was measured in IP3-binding domain(IBD) of human Inositol 1,4,5-trisphosphate receptor at pH 7.4


Bioorg Med Chem Lett 9: 1697-702 (1999)


Article DOI: 10.1016/s0960-894x(99)00256-5
BindingDB Entry DOI: 10.7270/Q2GH9H50
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
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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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)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
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)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
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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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)


Article DOI: 10.1021/jm991084t
BindingDB Entry DOI: 10.7270/Q21N80B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
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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n/an/an/a 260n/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor


Bioorg Med Chem Lett 12: 911-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00044-6
BindingDB Entry DOI: 10.7270/Q2HX1C0H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50132165
PNG
(CHEMBL103242 | CHEMBL3349692 | Ins (1,3,5)p3 | Pho...)
Show SMILES O[C@H]1[C@H](OP(O)(O)=O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1/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)/t1-,2-,3-,4-,5+,6-
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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)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/an/a 24.8n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells


J Med Chem 49: 1900-9 (2006)


Article DOI: 10.1021/jm051039n
BindingDB Entry DOI: 10.7270/Q2MK6CG5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
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 0.00000200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine...


Bioorg Med Chem Lett 5: 831-834 (1995)


Article DOI: 10.1016/0960-894X(95)00120-I
BindingDB Entry DOI: 10.7270/Q2ST7PTQ
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/an/a 20n/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP3R1 expressed in chicken DT40 cells assessed as calcium release from intracellular stores


Nat Chem Biol 5: 631-9 (2009)


Article DOI: 10.1038/nchembio.195
BindingDB Entry DOI: 10.7270/Q2C53M27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/a 12.5n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of [3H]IP3 from full-length rat recombinant IP3R1 expressed in chicken DT40 cells by equilibrium competitive binding assay


Nat Chem Biol 5: 631-9 (2009)


Article DOI: 10.1038/nchembio.195
BindingDB Entry DOI: 10.7270/Q2C53M27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/a 2.32n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of [3H]IP3 from rat recombinant N-terminal IP3R1 (1-604) expressed in chicken DT40 cells by equilibrium competitive binding assay


Nat Chem Biol 5: 631-9 (2009)


Article DOI: 10.1038/nchembio.195
BindingDB Entry DOI: 10.7270/Q2C53M27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/a 0.210n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of [3H]IP3 from rat recombinant IP3R1 binding core residue (224-604) expressed in chicken DT40 cells by equilibrium competitive binding ...


Nat Chem Biol 5: 631-9 (2009)


Article DOI: 10.1038/nchembio.195
BindingDB Entry DOI: 10.7270/Q2C53M27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytohesin-3


(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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n/an/an/a 100n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay


Bioorg Med Chem 19: 6833-41 (2011)


Article DOI: 10.1016/j.bmc.2011.09.035
BindingDB Entry DOI: 10.7270/Q2RN3881
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/an/a 24.8n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Activity at rat IP3 type 1 receptor expressed in DT40 cell assessed as calcium ion mobilization


J Med Chem 49: 5750-8 (2006)


Article DOI: 10.1021/jm060310d
BindingDB Entry DOI: 10.7270/Q2BK1D4Q
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 4.37E+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)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
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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n/an/a 2.60E+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)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
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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n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine...


Bioorg Med Chem Lett 5: 831-834 (1995)


Article DOI: 10.1016/0960-894X(95)00120-I
BindingDB Entry DOI: 10.7270/Q2ST7PTQ
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)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate binding protein


(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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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay 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.


Bioorg Med Chem Lett 6: 2197-2200 (1996)


Article DOI: 10.1016/0960-894X(96)00399-X
BindingDB Entry DOI: 10.7270/Q25B030V
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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n/an/a 13n/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)


Article DOI: 10.1016/s0960-894x(98)00081-x
BindingDB Entry DOI: 10.7270/Q28051SQ
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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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)


Article DOI: 10.1016/s0960-894x(98)00081-x
BindingDB Entry DOI: 10.7270/Q28051SQ
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1


(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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n/an/an/an/a 23n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat IP3R1 expressed in chicken DT40 cells assessed as induction of Ca2+ release


J Med Chem 55: 1706-20 (2012)


Article DOI: 10.1021/jm201571p
BindingDB Entry DOI: 10.7270/Q2S183JJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inositol 1,4,5-trisphosphate binding protein


(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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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay 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.


Bioorg Med Chem Lett 6: 2197-2200 (1996)


Article DOI: 10.1016/0960-894X(96)00399-X
BindingDB Entry DOI: 10.7270/Q25B030V
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
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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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Ins(1,4,5)P3 receptor in swiss 3T3 cells


Bioorg Med Chem Lett 5: 1225-1230 (1995)


Article DOI: 10.1016/0960-894X(95)00200-D
BindingDB Entry DOI: 10.7270/Q21836F4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)