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BDBM50075651 1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate)::1D-myo-inositol 1,3,4,5-tetrakisphosphate::CHEMBL23552

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

InChI Key: InChIKey=CIPFCGZLFXVXBG-CNWJWELYSA-N

Data: 2 IC50  1 Kd

PDB links: 26 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50075651   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inositol 1,4,5-trisphosphate receptor


(Homo sapiens (Human))
BDBM50075651
PNG
(1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...)
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)/t1-,2-,3-,4+,5-,6-/m0/s1
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bergische Universität Wuppertal

Curated by ChEMBL


Assay Description
Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane


J Med Chem 42: 1262-73 (1999)


Article DOI: 10.1021/jm981113k
BindingDB Entry DOI: 10.7270/Q2CF9P8S
More data for this
Ligand-Target Pair
Inositol-trisphosphate 3-kinase A


(Rattus norvegicus)
BDBM50075651
PNG
(1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...)
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)/t1-,2-,3-,4+,5-,6-/m0/s1
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n/an/a 2.78E+4n/an/an/an/an/an/a



Pohang University of Science & Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli


Bioorg Med Chem Lett 13: 2981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00629-2
BindingDB Entry DOI: 10.7270/Q2FQ9W02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytohesin-3


(Rattus norvegicus)
BDBM50075651
PNG
(1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosph...)
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)/t1-,2-,3-,4+,5-,6-/m0/s1
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CHEBI
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n/an/an/a 100n/an/an/an/an/a



Kumamoto Health Science University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay


Bioorg Med Chem 19: 6833-41 (2011)


Article DOI: 10.1016/j.bmc.2011.09.035
BindingDB Entry DOI: 10.7270/Q2RN3881
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)