Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
L-lactate dehydrogenase A chain   (332/332 = 100%)† (Rattus norvegicus (Rat))	BDBM86123 (LDHA Inhibitor, 18) Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(SCC=C)sc2c1 Show InChI InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
L-lactate dehydrogenase A chain   (332/332 = 100%)† (Rattus norvegicus (Rat))	BDBM86123 (LDHA Inhibitor, 18) Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(SCC=C)sc2c1 Show InChI InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30E+5	n/a	n/a	n/a	7.5	n/a
AstraZeneca					Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format.				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				3D Structure (crystal)
L-lactate dehydrogenase A chain   (332/332 = 100%)† (Rattus norvegicus (Rat))	BDBM86123 (LDHA Inhibitor, 18) Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(SCC=C)sc2c1 Show InChI InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.70E+5	n/a	n/a	n/a	7.5	n/a
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				3D Structure (crystal)

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