BDBM50219487 1-hydroxy-2-naphthoate::1-hydroxy-2-naphthoic acid::CHEMBL229299::LDHA Inhibitor, 5::NSC 3717::Xinafoic acid
SMILES: OC(=O)c1ccc2ccccc2c1O
InChI Key: InChIKey=SJJCQDRGABAVBB-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 |
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Lactate dehydrogenase A (LDHA) (Homo sapiens (Human)) | BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca | Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). | J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human)) | BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 6.40E+5 | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca | Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u... | J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...) | BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrat... | J Med Chem 55: 8493-501 (2012) Article DOI: 10.1021/jm3009844 BindingDB Entry DOI: 10.7270/Q21V5HTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Inhibition of influenza A/WSN/1933 (H1N1) virus neuraminidase N1 using MUNANA substrate by fluorimetric assay | Bioorg Med Chem 19: 4796-802 (2011) Article DOI: 10.1016/j.bmc.2011.06.080 BindingDB Entry DOI: 10.7270/Q2J38WF7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Inha University Curated by ChEMBL | Assay Description Inhibition of PTP1B | Bioorg Med Chem 15: 6535-48 (2007) Article DOI: 10.1016/j.bmc.2007.07.010 BindingDB Entry DOI: 10.7270/Q2GM871J | |||||||||||
More data for this Ligand-Target Pair |