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: 27 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)	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 (Homo sapiens (Human))	BDBM50075651 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/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 (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	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 PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2FQ9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytohesin-3 (Rattus norvegicus)	BDBM50075651 (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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/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 Structure (crystal)