Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM488279'   

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))	BDBM488279 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM488279 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GS[HiBiT]GS-tagged LDHA (unknown origin) expressed in HEK-293T cells measured after 1 hr by CESTA				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM488279 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)	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 TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA; THE UAB RESEARCH FOUNDATION; VANDERBILT UNIVERSITY; NATIONAL INSTITUTES OF HEALTH, UNITED STATES DEPT. OF HEALTH AND HUMAN SERVICES 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 US10954228 (2021) BindingDB Entry DOI: 10.7270/Q29026W9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM488279 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LDHA in human A673 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence based a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM488279 (2-(5-(2-cyclopropylethyl)-4-(3- fluoro-4-sulfamoyl...) Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CCC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C31H26FN5O4S3/c1-18-16-34-28(43-18)12-9-20-3-2-4-22(13-20)29-23(14-21-8-11-27(24(32)15-21)44(33,40)41)26(10-7-19-5-6-19)37(36-29)31-35-25(17-42-31)30(38)39/h2-4,8,11,13,15-17,19H,5-7,10,14H2,1H3,(H,38,39)(H2,33,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LDHA in human MIA PaCa-2 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair