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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,4,5-trisphosphate receptor type 1' 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 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


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


(Rattus norvegicus)
BDBM50284584
PNG
(1D-myo-inositol 4,5-bis(dihydrogen phosphate) | 1D...)
Show SMILES 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/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
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n/an/an/an/a 8.63E+3n/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


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


(Rattus norvegicus)
BDBM50184327
PNG
(CHEMBL205303 | phosphoric acid mono-[(2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@@H](CCCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C9H21O15P3/c10-4-6-8(23-26(15,16)17)9(24-27(18,19)20)7(11)5(22-6)2-1-3-21-25(12,13)14/h5-11H,1-4H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t5-,6+,7-,8+,9+/m0/s1
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n/an/an/an/a 4.43E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184331
PNG
(CHEMBL204253 | phosphoric acid mono-((2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4-,5+,6-,7-/m1/s1
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n/an/an/an/a 394n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184332
PNG
(CHEMBL382185 | phosphoric acid mono-{(2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N2O19P3/c19-4-8-6(12(35-38(24,25)26)15(34-8)18-2-1-10(21)17-16(18)23)3-7-11(22)14(37-40(30,31)32)13(9(5-20)33-7)36-39(27,28)29/h1-2,6-9,11-15,19-20,22H,3-5H2,(H,17,21,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t6-,7-,8-,9-,11+,12-,13-,14-,15-/m1/s1
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n/an/an/an/a 11.3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184330
PNG
(CHEMBL205008 | phosphoric acid mono-[(2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@H](CCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C8H19O15P3/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t4-,5-,6+,7-,8-/m1/s1
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n/an/an/an/a 49.2n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50194704
PNG
(5'-deoxy-5'-phenethyladenophostin A 2',3'',4''-tri...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]2O)[C@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C24H34N5O17P3/c25-21-15-22(27-10-26-21)29(11-28-15)23-20(46-49(38,39)40)17(13(41-23)8-4-7-12-5-2-1-3-6-12)43-24-16(31)19(45-48(35,36)37)18(14(9-30)42-24)44-47(32,33)34/h1-3,5-6,10-11,13-14,16-20,23-24,30-31H,4,7-9H2,(H2,25,26,27)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/p-6/t13-,14-,16-,17-,18-,19-,20-,23-,24-/m1/s1
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n/an/an/an/a 2.70n/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


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


(Rattus norvegicus)
BDBM50184325
PNG
(2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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n/an/an/an/a 2.10n/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


Citation and Details
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
Activity at rat IP3 type 1 receptor expressed in DT40 cell assessed as calcium ion mobilization


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


(Rattus norvegicus)
BDBM50194705
PNG
((3S,4R,5R)-5-benzyl-4-{[(2R,3R,4R,5R,6R)-3-hydroxy...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](CO[C@@H]2Cc2ccccc2)OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C17H27O17P3/c18-7-11-15(33-36(23,24)25)16(34-37(26,27)28)13(19)17(30-11)31-14-10(6-9-4-2-1-3-5-9)29-8-12(14)32-35(20,21)22/h1-5,10-19H,6-8H2,(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/p-6/t10-,11-,12+,13-,14-,15-,16-,17-/m1/s1
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n/an/an/an/a 53.3n/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


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


(Rattus norvegicus)
BDBM50194706
PNG
(5'-deoxy-5'-benzyladenophostin A 2',3'',4''-trisph...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]2O)[C@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C23H32N5O17P3/c24-20-14-21(26-9-25-20)28(10-27-14)22-19(45-48(37,38)39)16(12(40-22)7-6-11-4-2-1-3-5-11)42-23-15(30)18(44-47(34,35)36)17(13(8-29)41-23)43-46(31,32)33/h1-5,9-10,12-13,15-19,22-23,29-30H,6-8H2,(H2,24,25,26)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/p-6/t12-,13-,15-,16-,17-,18-,19-,22-,23-/m1/s1
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n/an/an/an/a 2.80n/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


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


(Rattus norvegicus)
BDBM50194703
PNG
(5'-Deoxy-5'-phenyladenophostin A)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](Cc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]2O)[C@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C22H30N5O17P3/c23-19-13-20(25-8-24-19)27(9-26-13)21-18(44-47(36,37)38)15(11(39-21)6-10-4-2-1-3-5-10)41-22-14(29)17(43-46(33,34)35)16(12(7-28)40-22)42-45(30,31)32/h1-5,8-9,11-12,14-18,21-22,28-29H,6-7H2,(H2,23,24,25)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/p-6/t11-,12-,14-,15-,16-,17-,18-,21-,22-/m1/s1
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n/an/an/an/a 2.10n/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


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


(Rattus norvegicus)
BDBM50184324
PNG
(CHEMBL383049 | phosphoric acid mono-{(2R,3R,4R,5S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](C[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C17H28N5O17P3/c18-15-10-16(20-4-19-15)22(5-21-10)17-12(37-40(26,27)28)6(8(2-23)36-17)1-7-11(25)14(39-42(32,33)34)13(9(3-24)35-7)38-41(29,30)31/h4-9,11-14,17,23-25H,1-3H2,(H2,18,19,20)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)/t6-,7-,8-,9-,11+,12-,13-,14-,17-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184326
PNG
(CHEMBL380941 | phosphoric acid mono-[(2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@H](CCCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C9H21O15P3/c10-4-6-8(23-26(15,16)17)9(24-27(18,19)20)7(11)5(22-6)2-1-3-21-25(12,13)14/h5-11H,1-4H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t5-,6-,7+,8-,9-/m1/s1
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n/an/an/an/a 213n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184329
PNG
(CHEMBL383659 | phosphoric acid mono-((2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184325
PNG
(2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184328
PNG
(CHEMBL204903 | phosphoric acid mono-[(2R,3R,4R,5S,...)
Show SMILES OC[C@H]1O[C@@H](CCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C8H19O15P3/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t4-,5+,6-,7+,8+/m0/s1
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n/an/an/an/a 2.04E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


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


(Rattus norvegicus)
BDBM50184325
PNG
(2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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n/an/an/an/a 1.5n/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


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


(Rattus norvegicus)
BDBM50323704
PNG
(CHEMBL1213158 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/m0/s1
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n/an/an/an/a 2.70n/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


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


(Rattus norvegicus)
BDBM50323705
PNG
(CHEMBL1213159 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
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n/an/an/an/a 4.90n/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


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


(Rattus norvegicus)
BDBM50323706
PNG
(CHEMBL1212943 | NA)
Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/s1
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n/an/an/an/a 5n/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


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


(Rattus norvegicus)
BDBM50323707
PNG
(CHEMBL1213160 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/m0/s1
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n/an/an/an/a 5n/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


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


(Rattus norvegicus)
BDBM50323708
PNG
(CHEMBL1213161 | NA)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/m0/s1
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n/an/an/an/a 21n/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


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


(Rattus norvegicus)
BDBM50323709
PNG
(CHEMBL1213163 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[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/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1
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n/an/an/an/a 30n/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


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


(Rattus norvegicus)
BDBM50323710
PNG
((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...)
Show SMILES O[C@H]1C[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/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/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/an/an/a 32n/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


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


(Rattus norvegicus)
BDBM50323711
PNG
((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...)
Show SMILES NCCO[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/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/m0/s1
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n/an/an/an/a 42n/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


Citation and Details
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/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


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


(Rattus norvegicus)
BDBM50184325
PNG
(2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyp...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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n/an/an/a 1.26n/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


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


(Rattus norvegicus)
BDBM50323704
PNG
(CHEMBL1213158 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/m0/s1
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n/an/an/a 0.450n/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


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


(Rattus norvegicus)
BDBM50323705
PNG
(CHEMBL1213159 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
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n/an/an/a 0.860n/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


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


(Rattus norvegicus)
BDBM50323706
PNG
(CHEMBL1212943 | NA)
Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/s1
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n/an/an/a 0.900n/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


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


(Rattus norvegicus)
BDBM50323707
PNG
(CHEMBL1213160 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/m0/s1
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n/an/an/a 0.890n/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


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


(Rattus norvegicus)
BDBM50323708
PNG
(CHEMBL1213161 | NA)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/m0/s1
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n/an/an/a 7.82n/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


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


(Rattus norvegicus)
BDBM50323709
PNG
(CHEMBL1213163 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[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/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1
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n/an/an/a 7.62n/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


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


(Rattus norvegicus)
BDBM50323710
PNG
((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...)
Show SMILES O[C@H]1C[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/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/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/an/a 17.1n/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


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


(Rattus norvegicus)
BDBM50323711
PNG
((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...)
Show SMILES NCCO[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/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/m0/s1
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n/an/an/a 43.6n/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


Citation and Details
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/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


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


(Rattus norvegicus)
BDBM50323704
PNG
(CHEMBL1213158 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/m0/s1
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n/an/an/a 0.410n/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


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


(Rattus norvegicus)
BDBM50323705
PNG
(CHEMBL1213159 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
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n/an/an/a 0.470n/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


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


(Rattus norvegicus)
BDBM50323706
PNG
(CHEMBL1212943 | NA)
Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/s1
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n/an/an/a 0.420n/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


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


(Rattus norvegicus)
BDBM50323707
PNG
(CHEMBL1213160 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/m0/s1
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n/an/an/a 0.360n/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


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


(Rattus norvegicus)
BDBM50323708
PNG
(CHEMBL1213161 | NA)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H35N2O22P3/c20-5-6(21)8(23)12(9(24)7(5)22)37-3-1-18-17(27)19-2-4-38-13-10(25)15(40-43(31,32)33)16(41-44(34,35)36)11(26)14(13)39-42(28,29)30/h5-16,20-26H,1-4H2,(H2,18,19,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/t5-,6-,7+,8+,9-,10-,11-,12+,13+,14-,15+,16+/m0/s1
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n/an/an/a 2.81n/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


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


(Rattus norvegicus)
BDBM50323709
PNG
(CHEMBL1213163 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)C23CC4CC(CC(C4)C2)C3)[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/C19H34NO16P3/c21-12-14(33-2-1-20-18(23)19-6-9-3-10(7-19)5-11(4-9)8-19)15(34-37(24,25)26)13(22)17(36-39(30,31)32)16(12)35-38(27,28)29/h9-17,21-22H,1-8H2,(H,20,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t9?,10?,11?,12-,13-,14+,15-,16+,17+,19?/m0/s1
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n/an/an/a 1.63n/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


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


(Rattus norvegicus)
BDBM50323710
PNG
((1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-tr...)
Show SMILES O[C@H]1C[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/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/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/an/a 4.01n/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


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


(Rattus norvegicus)
BDBM50323711
PNG
((1R,2R,3S,4S,5R,6S)-5-(2-aminoethoxy)-3,6-dihydrox...)
Show SMILES NCCO[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/C8H20NO15P3/c9-1-2-21-5-3(10)7(23-26(15,16)17)8(24-27(18,19)20)4(11)6(5)22-25(12,13)14/h3-8,10-11H,1-2,9H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4-,5+,6-,7+,8+/m0/s1
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n/an/an/a 13.5n/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


Citation and Details
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/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 ...


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


(Rattus norvegicus)
BDBM50323704
PNG
(CHEMBL1213158 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14+,15+,16+/m0/s1
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PubMed
n/an/an/a 0.180n/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 ...


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


(Rattus norvegicus)
BDBM50323705
PNG
(CHEMBL1213159 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)OCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C30H64N2O39P6/c33-17-21(23(66-72(39,40)41)19(35)27(70-76(51,52)53)25(17)68-74(45,46)47)62-3-1-31-29(37)64-15-13-60-11-9-58-7-5-57-6-8-59-10-12-61-14-16-65-30(38)32-2-4-63-22-18(34)26(69-75(48,49)50)28(71-77(54,55)56)20(36)24(22)67-73(42,43)44/h17-28,33-36,51-53,76H,1-16H2,(H,31,37)(H,32,38)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)(H2,54,55,56)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
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n/an/an/a 0.180n/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 ...


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


(Rattus norvegicus)
BDBM50323706
PNG
(CHEMBL1212943 | NA)
Show SMILES O[C@@H]1[C@H](OCCNC(=O)NCCO[C@@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]2OP(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/C17H40N2O31P6/c20-5-9(11(45-51(25,26)27)7(22)15(49-55(37,38)39)13(5)47-53(31,32)33)43-3-1-18-17(24)19-2-4-44-10-6(21)14(48-54(34,35)36)16(50-56(40,41)42)8(23)12(10)46-52(28,29)30/h5-16,20-23,37-39,55H,1-4H2,(H2,18,19,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,40,41,42)/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-/m1/s1
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n/an/an/a 0.140n/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 ...


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


(Rattus norvegicus)
BDBM50323707
PNG
(CHEMBL1213160 | NA)
Show SMILES O[C@H]1[C@@H](OCCNC(=O)NCCO[C@@H]2[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)O)[C@@H](OP(O)(O)=O)[C@@H]2OP(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/C17H42N2O37P8/c20-5-7(8(49-57(23,24)25)6(21)10(51-59(29,30)31)9(5)50-58(26,27)28)47-3-1-18-17(22)19-2-4-48-11-12(52-60(32,33)34)14(54-62(38,39)40)16(56-64(44,45)46)15(55-63(41,42)43)13(11)53-61(35,36)37/h5-16,20-21,44-46,64H,1-4H2,(H2,18,19,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/t5-,6-,7+,8-,9+,10+,11-,12+,13-,14-,15+,16+/m0/s1
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n/an/an/a 0.200n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
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