BindingDB logo
myBDB logout

PubMed code 16539376

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inositol 1,4,5-trisphosphate receptor type 1


(Rattus norvegicus)
BDBM50184323
PNG
(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/an/an/an/a 4.60n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


J Med Chem 49: 1900-9 (2006)


Article DOI: 10.1021/jm051039n
BindingDB Entry DOI: 10.7270/Q2MK6CG5
More data for this
Ligand-Target Pair
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
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/an/an/an/a 24.8n/an/an/an/a



Hokkaido University

Curated by ChEMBL


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


J Med Chem 49: 1900-9 (2006)


Article DOI: 10.1021/jm051039n
BindingDB Entry DOI: 10.7270/Q2MK6CG5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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


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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


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
* indicates data uncertainty>20%