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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'Inositol 1,4,5-trisphosphate receptor'   
Target/Host
(Institution)
LigandTarget/Host
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


(Homo sapiens)
BDBM50078572
PNG
(CHEMBL172534 | CHEMBL297496 | {4-[(4-Dimethylamino...)
Show SMILES CN(C)c1ccc(cc1)[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)C(=O)NCCCOP(O)(=O)OC1C(O)C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C33H44N3O16P3/c1-35(2)24-14-10-21(11-15-24)26(22-12-16-25(17-13-22)36(3)4)20-6-8-23(9-7-20)33(40)34-18-5-19-49-55(47,48)52-30-27(37)28(38)31(50-53(41,42)43)32(29(30)39)51-54(44,45)46/h6-17,27-32,37-39H,5,18-19H2,1-4H3,(H5-,34,40,41,42,43,44,45,46,47,48)/p+1
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Article
PubMed
n/an/an/a 1.20n/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
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens)
BDBM50078574
PNG
(CHEMBL46273 | inositol 1,4,5-trisphosphate analogu...)
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)OCCCNC(=O)Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C30H32NO21P3/c32-14-6-8-18-20(12-14)48-21-13-15(7-9-19(21)30(18)17-5-2-1-4-16(17)28(36)49-30)47-29(37)31-10-3-11-46-55(44,45)52-25-22(33)23(34)26(50-53(38,39)40)27(24(25)35)51-54(41,42)43/h1-2,4-9,12-13,22-27,32-35H,3,10-11H2,(H,31,37)(H,44,45)(H2,38,39,40)(H2,41,42,43)/t22-,23+,24+,25-,26-,27-,30?/m1/s1
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n/an/an/a 188n/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
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens)
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
PubMed
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
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens)
BDBM50078573
PNG
(CHEMBL297235 | Phosphoric acid 3-amino-propyl este...)
Show SMILES NCCCOP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O
Show InChI InChI=1S/C9H22NO15P3/c10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19/h4-9,11-13H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19)/t4-,5+,6+,7-,8-,9-/m1/s1
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Article
PubMed
n/an/an/a 1.12E+3n/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