Found 59 hits of ec50 for UniProtKB: P29994 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50194703
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50194704
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323704
(CHEMBL1213158)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50194706
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184324
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184323
(CHEMBL379040 | phosphoric acid mono-{(2R,3R,4R,5R,...)Show SMILES OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O[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/C15H25N2O20P3/c18-3-5-9(12(37-40(29,30)31)13(32-5)17-2-1-7(20)16-15(17)22)34-14-8(21)11(36-39(26,27)28)10(6(4-19)33-14)35-38(23,24)25/h1-2,5-6,8-14,18-19,21H,3-4H2,(H,16,20,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323705
(CHEMBL1213159)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323706
(CHEMBL1212943)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323707
(CHEMBL1213160)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184332
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11.3 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514586
(CHEMBL4578747)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-26-12-11(31-34(23,24)25)7(3(2-13)27-12)28-8-4(14)5(15)9(29-32(17,18)19)10(6(8)16)30-33(20,21)22/h3-16H,2H2,1H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t3-,4-,5+,6+,7-,8+,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514586
(CHEMBL4578747)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-26-12-11(31-34(23,24)25)7(3(2-13)27-12)28-8-4(14)5(15)9(29-32(17,18)19)10(6(8)16)30-33(20,21)22/h3-16H,2H2,1H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t3-,4-,5+,6+,7-,8+,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/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 Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323708
(CHEMBL1213161)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/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 Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 24.8 | n/a | n/a | n/a | n/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 Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 24.8 | n/a | n/a | n/a | n/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 Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514586
(CHEMBL4578747)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-26-12-11(31-34(23,24)25)7(3(2-13)27-12)28-8-4(14)5(15)9(29-32(17,18)19)10(6(8)16)30-33(20,21)22/h3-16H,2H2,1H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t3-,4-,5+,6+,7-,8+,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514586
(CHEMBL4578747)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-26-12-11(31-34(23,24)25)7(3(2-13)27-12)28-8-4(14)5(15)9(29-32(17,18)19)10(6(8)16)30-33(20,21)22/h3-16H,2H2,1H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t3-,4-,5+,6+,7-,8+,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323709
(CHEMBL1213163)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 |r,TLB:16:11:18:17.15.14,16:15:18:10.11.12,THB:14:13:10:17.15.16,14:15:10:18.13.12| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323710
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50323711
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184330
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49.2 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514587
(CHEMBL4483666)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514587
(CHEMBL4483666)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50194705
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 53.3 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50527899
(CHEMBL4475041)Show SMILES CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.OC[C@H]1O[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/3C6H15N.C6H15O15P3/c3*1-4-7(5-2)6-3;7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h3*4-6H2,1-3H3;2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t;;;2-,3-,4-,5-,6+/m...1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50527899
(CHEMBL4475041)Show SMILES CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.OC[C@H]1O[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/3C6H15N.C6H15O15P3/c3*1-4-7(5-2)6-3;7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h3*4-6H2,1-3H3;2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t;;;2-,3-,4-,5-,6+/m...1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514587
(CHEMBL4483666)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50514587
(CHEMBL4483666)Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2OP(O)(O)=O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O |r| Show InChI InChI=1S/C12H25O19P3/c1-25-12-10(31-34(22,23)24)7(4(2-13)27-12)28-11-6(15)9(30-33(19,20)21)8(5(3-14)26-11)29-32(16,17)18/h4-15H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50382972
(CHEMBL2030675)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]1O |r| Show InChI InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-8(24)10(5(1-22)32-15)34-16-9(25)12(36-38(29,30)31)11(6(2-23)33-16)35-37(26,27)28/h3-6,8-12,15-16,22-25H,1-2H2,(H2,17,18,19)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 107 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 132 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 133 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 155 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184325
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 155 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
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PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 209 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50075183
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 209 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay |
J Med Chem 63: 3238-3251 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01986
BindingDB Entry DOI: 10.7270/Q2VH5S6N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184326
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 213 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184331
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184329
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50184328
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/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 | |
Inositol 1,4,5-trisphosphate receptor type 1
(Rattus norvegicus) | BDBM50527902
(CHEMBL4555037)Show SMILES CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r| Show InChI InChI=1S/3C6H15N.C6H15O15P3/c3*1-4-7(5-2)6-3;7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h3*4-6H2,1-3H3;2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t;;;2-,3-,4-,5-,6-/m...1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4... |
J Med Chem 63: 5442-5457 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00215
BindingDB Entry DOI: 10.7270/Q2988BGM |
More data for this
Ligand-Target Pair | |
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