BDBM50096598 ((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-(6-(naphthalen-1-ylmethylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate::CHEMBL366942::Phosphoric acid mono-((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxy-benzoylamino)-5-{6-[(naphthalen-1-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl) ester
SMILES: COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
InChI Key: InChIKey=WCJVICQJLSYOTE-BYHVZLFPSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human)) | BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | Bioorg Med Chem Lett 11: 95-8 (2001) BindingDB Entry DOI: 10.7270/Q2F76D3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi) | BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry | Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human)) | BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | Bioorg Med Chem Lett 11: 95-8 (2001) BindingDB Entry DOI: 10.7270/Q2F76D3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human)) | BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | Bioorg Med Chem Lett 11: 95-8 (2001) BindingDB Entry DOI: 10.7270/Q2F76D3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human)) | BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | Bioorg Med Chem Lett 11: 95-8 (2001) BindingDB Entry DOI: 10.7270/Q2F76D3N | |||||||||||
More data for this Ligand-Target Pair |