BDBM23227 Oxamic acid derivative, 5::[(4-{2-[(5-hydroxy-2-{[(4-methoxyphenyl)methyl]carbamoyl}-4-oxo-4H-chromen-7-yl)oxy]ethyl}phenyl)carbamoyl]formic acid

SMILES: COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1

InChI Key: InChIKey=PEWNPFQOJLWZAH-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 23227   

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
Lactate Dehydrogenase (Plasmodium falciparum)	BDBM23227 (Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...) Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1 Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+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))	BDBM23227 (Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...) Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1 Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.87E+5	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 cytoplasmic (Sus scrofa (pig))	BDBM23227 (Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...) Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1 Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+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 (Sus scrofa (pig))	BDBM23227 (Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...) Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1 Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+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 (pfMDH) (Plasmodium falciparum)	BDBM23227 (Oxamic acid derivative, 5 | [(4-{2-[(5-hydroxy-2-{...) Show SMILES COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1 Show InChI InChI=1S/C28H24N2O9/c1-37-19-8-4-17(5-9-19)15-29-26(33)24-14-22(32)25-21(31)12-20(13-23(25)39-24)38-11-10-16-2-6-18(7-3-16)30-27(34)28(35)36/h2-9,12-14,31H,10-11,15H2,1H3,(H,29,33)(H,30,34)(H,35,36)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+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