BDBM50118216 (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate::CHEMBL82202::pyridoxal 5'-(dihydrogen phosphate)::pyridoxal 5'-phosphate
SMILES: Cc1ncc(COP(O)(O)=O)c(C=O)c1O
InChI Key: InChIKey=NGVDGCNFYWLIFO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human)) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint John's University Curated by ChEMBL | Assay Description Competitive inhibition of LMW-PTP isoform A (unknown origin) | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trans-sialidase (Trypanosoma cruzi) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi trans-sialidase | Eur J Med Chem 158: 25-33 (2018) Article DOI: 10.1016/j.ejmech.2018.08.089 BindingDB Entry DOI: 10.7270/Q2J105TR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trans-sialidase (Trypanosoma cruzi) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi trans-Sialidase | Bioorg Med Chem Lett 19: 589-96 (2009) Article DOI: 10.1016/j.bmcl.2008.12.065 BindingDB Entry DOI: 10.7270/Q2X92C7J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 3.95E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2 ) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (RAT) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (RAT) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 2.19E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 10 uM | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (Homo sapiens (Human)) | BDBM50118216 ((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at P2X1 receptor (unknown origin) | Bioorg Med Chem 21: 2643-50 (2013) Article DOI: 10.1016/j.bmc.2013.01.073 BindingDB Entry DOI: 10.7270/Q2DF6SK7 | |||||||||||
More data for this Ligand-Target Pair |