Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM489083'   

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))	BDBM489083 (2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...) Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1 Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489083 (2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...) Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1 Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; VANDERBILT UNIVERSITY; THE UAB RESEARCH FOUNDATION; THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA US Patent					Assay Description Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 mi...				US Patent US10961200 (2021) BindingDB Entry DOI: 10.7270/Q2474DZ9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489083 (2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...) Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1 Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair