BDBM50078573 CHEMBL297235::Phosphoric acid 3-amino-propyl ester (1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis-phosphonooxy-cyclohexyl ester
SMILES: NCCCOP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O
InChI Key: InChIKey=WLNPFFJULRQOST-JZHWRPJLSA-N
Data: 2 Kd
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)) | BDBM50078573 (CHEMBL297235 | Phosphoric acid 3-amino-propyl este...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor | Bioorg Med Chem Lett 12: 911-3 (2002) BindingDB Entry DOI: 10.7270/Q2HX1C0H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol 1,4,5-trisphosphate receptor (Homo sapiens (Human)) | BDBM50078573 (CHEMBL297235 | Phosphoric acid 3-amino-propyl este...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.12E+3 | n/a | n/a | n/a | 7.4 | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Dissociation constant of compound was measured in IP3-binding domain(IBD) of human Inositol 1,4,5-trisphosphate receptor at pH 7.4 | Bioorg Med Chem Lett 9: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q2GH9H50 | |||||||||||
More data for this Ligand-Target Pair |