Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50535762'   

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 (Homo sapiens (Human))	BDBM50535762 (CHEMBL4563330) Show SMILES O=C(CNC(=O)c1ccccc1)N1CCC(Cc2nc(no2)C2CC2)CC1 Show InChI InChI=1S/C20H24N4O3/c25-18(13-21-20(26)16-4-2-1-3-5-16)24-10-8-14(9-11-24)12-17-22-19(23-27-17)15-6-7-15/h1-5,14-15H,6-13H2,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a
The 5th Affiliated Hospital of Shenzhen University Health Science Center Curated by ChEMBL					Assay Description Binding affinity to His-tagged human LDHA in presence of NAD+ by isothermal titration calorimetry				Bioorg Med Chem Lett 29: 2459-2463 (2019) Article DOI: 10.1016/j.bmcl.2019.07.029 BindingDB Entry DOI: 10.7270/Q2QR51M3
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50535762 (CHEMBL4563330) Show SMILES O=C(CNC(=O)c1ccccc1)N1CCC(Cc2nc(no2)C2CC2)CC1 Show InChI InChI=1S/C20H24N4O3/c25-18(13-21-20(26)16-4-2-1-3-5-16)24-10-8-14(9-11-24)12-17-22-19(23-27-17)15-6-7-15/h1-5,14-15H,6-13H2,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a
The 5th Affiliated Hospital of Shenzhen University Health Science Center Curated by ChEMBL					Assay Description Binding affinity to His-tagged human LDHA in absence of NAD+ by isothermal titration calorimetry				Bioorg Med Chem Lett 29: 2459-2463 (2019) Article DOI: 10.1016/j.bmcl.2019.07.029 BindingDB Entry DOI: 10.7270/Q2QR51M3
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50535762 (CHEMBL4563330) Show SMILES O=C(CNC(=O)c1ccccc1)N1CCC(Cc2nc(no2)C2CC2)CC1 Show InChI InChI=1S/C20H24N4O3/c25-18(13-21-20(26)16-4-2-1-3-5-16)24-10-8-14(9-11-24)12-17-22-19(23-27-17)15-6-7-15/h1-5,14-15H,6-13H2,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
The 5th Affiliated Hospital of Shenzhen University Health Science Center Curated by ChEMBL					Assay Description Inhibition of His-tagged human LDHA incubated for 10 mins using NADH and pyruvate by microplate reader based assay				Bioorg Med Chem Lett 29: 2459-2463 (2019) Article DOI: 10.1016/j.bmcl.2019.07.029 BindingDB Entry DOI: 10.7270/Q2QR51M3
					More data for this Ligand-Target Pair