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

Data: 4 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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 = 50219487   

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 A (LDHA) (Homo sapiens (Human))	BDBM50219487 (1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...) Show SMILES OC(=O)c1ccc2ccccc2c1O Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)	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...) Show SMILES OC(=O)c1ccc2ccccc2c1O Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)	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...) Show SMILES OC(=O)c1ccc2ccccc2c1O Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)	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...) Show SMILES OC(=O)c1ccc2ccccc2c1O Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)	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...) Show SMILES OC(=O)c1ccc2ccccc2c1O Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)	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