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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Type 1 InsP3 receptor isoform S2' AND taxid = 9823   
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
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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Article
n/an/a 20n/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...


Citation and Details
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040911
PNG
((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...)
Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S
Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6
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PubMed
n/an/a 61n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)

More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040911
PNG
((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...)
Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S
Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6
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PubMed
n/an/a 78n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)

More data for this
Ligand-Target Pair
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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Article
n/an/a 1.50E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040909
PNG
(D-3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphoro...)
Show SMILES NC1C(O)C(OP([O-])([O-])=O)C(O)C(OP([O-])([O-])=O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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PubMed
n/an/a 5.65E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)

More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040909
PNG
(D-3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphoro...)
Show SMILES NC1C(O)C(OP([O-])([O-])=O)C(O)C(OP([O-])([O-])=O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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PubMed
n/an/a 9.11E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)

More data for this
Ligand-Target Pair