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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)'   
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 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213228
PNG
(Inositol 1,3,4,5,6-pentakisphosphate (IP5))
Show SMILES O[C@@H]1[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]1OP([O-])([O-])=O
Show InChI InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-10/t1-,2+,3-,4-,5+,6+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 600n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213229
PNG
(1,3,4,6-Inositol tetrakisphosphate (1,3,4,6-IP4))
Show SMILES O[C@H]1[C@H](OP([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/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4+,5-,6+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.69E+4n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213232
PNG
(1,3,4,5-Inositol tetrakisphosphate (1,3,4,5-IP4))
Show SMILES O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2-,3-,4+,5-,6-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.82E+4n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213231
PNG
(3,4,5,6-Inositol tetrakisphosphate (3,4,5,6-IP4))
Show SMILES O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.52E+3n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)


(Arabidopsis thaliana (Mouse-ear cress))
BDBM213230
PNG
(1,4,5,6-Inositol tetrakisphosphate (1,4,5,6-IP4))
Show SMILES O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.20E+3n/an/an/a7.525



McGill University



Assay Description
Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...


J Biol Chem 288: 26908-13 (2013)


Article DOI: 10.1074/jbc.M113.487777
BindingDB Entry DOI: 10.7270/Q2QC02B7
More data for this
Ligand-Target Pair