BDBM23229 Oxamic acid derivative, 7::[(4-{2-[(5-hydroxy-2-{[(4-methoxyphenyl)methyl]carbamoyl}-4-oxo-4H-chromen-7-yl)oxy]ethyl}-2-methoxyphenyl)carbamoyl]formic acid
SMILES: COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
InChI Key: InChIKey=MLDHFNNJFGENAK-UHFFFAOYSA-N
Data: 7 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 |
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Lactate Dehydrogenase (Plasmodium falciparum) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
University of Mississippi | Assay Description LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia... | J Med Chem 50: 3841-50 (2007) Article DOI: 10.1021/jm070336k BindingDB Entry DOI: 10.7270/Q2HH6HCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate Dehydrogenase (Bos taurus (bovine)) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
University of Mississippi | Assay Description LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initia... | J Med Chem 50: 3841-50 (2007) Article DOI: 10.1021/jm070336k BindingDB Entry DOI: 10.7270/Q2HH6HCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate Dehydrogenase (pfMDH) (Plasmodium falciparum) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi | Assay Description MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa... | J Med Chem 50: 3841-50 (2007) Article DOI: 10.1021/jm070336k BindingDB Entry DOI: 10.7270/Q2HH6HCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate dehydrogenase cytoplasmic (Homo sapiens (Human)) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant carboxy-terminal his-tagged MDH-1 (3 to 334) expressed in Escherichia coli using oxaloacetic acid as substrate after ... | Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate dehydrogenase cytoplasmic (Sus scrofa (pig)) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi | Assay Description MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa... | J Med Chem 50: 3841-50 (2007) Article DOI: 10.1021/jm070336k BindingDB Entry DOI: 10.7270/Q2HH6HCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of human recombinant carboxy-terminal his-tagged MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after... | Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate Dehydrogenase, mitochondrial (Sus scrofa (pig)) | BDBM23229 (Oxamic acid derivative, 7 | [(4-{2-[(5-hydroxy-2-{...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi | Assay Description MDH was assayed spectrophotometrically for reduction of oxaloacetic acid using NADH by recording the changed in absorbance at 340 nm. The reaction wa... | J Med Chem 50: 3841-50 (2007) Article DOI: 10.1021/jm070336k BindingDB Entry DOI: 10.7270/Q2HH6HCV | |||||||||||
More data for this Ligand-Target Pair |