Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 5399   

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 (Rattus norvegicus (Rat))	BDBM86138 (LDHA Inhibitor, 34) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C27H31N3O6S2/c1-2-14-37-27-30-21-11-10-19(16-22(21)38-27)29-24(32)12-13-28-23(31)5-3-4-17-6-8-18(9-7-17)15-20(25(33)34)26(35)36/h6-11,16,20H,2-5,12-15H2,1H3,(H,28,31)(H,29,32)(H,33,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86135 (LDHA Inhibitor, 31) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O6S2/c1-2-13-37-26-30-20-8-7-18(15-21(20)38-26)29-22(31)10-12-28-25(36)27-11-9-16-3-5-17(6-4-16)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86137 (LDHA Inhibitor, 33) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H27N3O6S/c1-15-27-20-10-9-18(14-21(20)35-15)28-23(30)11-12-26-22(29)4-2-3-16-5-7-17(8-6-16)13-19(24(31)32)25(33)34/h5-10,14,19H,2-4,11-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86133 (LDHA Inhibitor, 29) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+3	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 (Rattus norvegicus (Rat))	BDBM86131 (LDHA Inhibitor, 27) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O7S2/c1-2-13-38-26-30-20-8-5-17(15-21(20)39-26)29-22(31)9-10-27-25(36)28-11-12-37-18-6-3-16(4-7-18)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86130 (LDHA Inhibitor, 26) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20E+3	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 (Rattus norvegicus (Rat))	BDBM86136 (LDHA Inhibitor, 32) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	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
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	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
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM86114 (LDHA Inhibitor, 8) Show SMILES NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3| Show InChI InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86134 (LDHA Inhibitor, 30) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H24N4O7S/c1-13-26-17-7-4-15(12-18(17)35-13)27-19(28)9-11-25-23(33)24-10-8-14-2-5-16(6-3-14)34-20(21(29)30)22(31)32/h2-7,12,20H,8-11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,24,25,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86132 (LDHA Inhibitor, 28) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CCC(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H26N4O5S/c1-15-26-19-8-5-17(14-20(19)33-15)27-21(28)10-11-24-23(31)25-12-13-32-18-6-2-16(3-7-18)4-9-22(29)30/h2-3,5-8,14H,4,9-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.62E+4	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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM86114 (LDHA Inhibitor, 8) Show SMILES NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3| Show InChI InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86117 (LDHA Inhibitor, 12) Show SMILES CNc1nc2ccc(NC(C)=O)cc2s1 Show InChI InChI=1S/C10H11N3OS/c1-6(14)12-7-3-4-8-9(5-7)15-10(11-2)13-8/h3-5H,1-2H3,(H,11,13)(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem	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 (Rattus norvegicus (Rat))	BDBM86118 (LDHA Inhibitor, 13) Show SMILES NS(=O)(=O)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO3S/c11-15(13,14)10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6,12H,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid 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
L-lactate dehydrogenase A chain (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 (Rattus norvegicus (Rat))	BDBM86122 (LDHA Inhibitor, 17) Show SMILES CCCSc1nc2ccc(NC(=O)CCC(O)=O)cc2s1 Show InChI InChI=1S/C14H16N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h3-4,8H,2,5-7H2,1H3,(H,15,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem 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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86121 (LDHA Inhibitor, 16) Show SMILES Cc1nc2ccc(NC(=O)CCC(O)=O)cc2s1 Show InChI InChI=1S/C12H12N2O3S/c1-7-13-9-3-2-8(6-10(9)18-7)14-11(15)4-5-12(16)17/h2-3,6H,4-5H2,1H3,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem 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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86120 (LDHA Inhibitor, 15) Show SMILES CC(=O)Nc1ccc2nc(C)sc2c1 Show InChI InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid 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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM50078827 (2-(pyridin-3-yl)-1H-benzo[d]imidazole | 2-Pyridin-...) Show SMILES c1ccc2[nH]c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86115 (LDHA Inhibitor, 9) Show SMILES O=c1[nH]n(-c2ccccc2)c2ncccc12 Show InChI InChI=1S/C12H9N3O/c16-12-10-7-4-8-13-11(10)15(14-12)9-5-2-1-3-6-9/h1-8H,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86129 (LDHA Inhibitor, 25) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86128 (LDHA Inhibitor, 24) Show SMILES CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1 Show InChI InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 (Rattus norvegicus (Rat))	BDBM86127 (LDHA Inhibitor, 23) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86126 (LDHA Inhibitor, 22) Show SMILES Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 (Homo sapiens (Human))	BDBM50192453 (AMP(2-) | Adenosine-5-monophosphate | LDHA Inhibit...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem 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
L-lactate dehydrogenase A chain (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 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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50339607 (1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...) Show SMILES OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50066974 (7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12 Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid 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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM86113 (LDHA Inhibitor, 7) Show SMILES NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O |r,c:6,t:3| Show InChI InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/p-2/t7-,8-,9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	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 (Rattus norvegicus (Rat))	BDBM86124 (LDHA Inhibitor, 20) Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	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 (Rattus norvegicus (Rat))	BDBM86119 (LDHA Inhibitor, 14) Show SMILES Clc1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	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 (Rattus norvegicus (Rat))	BDBM86116 (LDHA Inhibitor, 11) Show SMILES COCCNc1ncnc2ccccc12 Show InChI InChI=1S/C11H13N3O/c1-15-7-6-12-11-9-4-2-3-5-10(9)13-8-14-11/h2-5,8H,6-7H2,1H3,(H,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid 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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86124 (LDHA Inhibitor, 20) Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.80E+5	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86124 (LDHA Inhibitor, 20) Show SMILES OC(=O)C(Oc1ccc(Br)cc1)C(O)=O Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	4.70E+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)
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.00E+6	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)
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86126 (LDHA Inhibitor, 22) Show SMILES Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.70E+5	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86127 (LDHA Inhibitor, 23) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86128 (LDHA Inhibitor, 24) Show SMILES CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1 Show InChI InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.60E+5	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86129 (LDHA Inhibitor, 25) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.10E+6	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86129 (LDHA Inhibitor, 25) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	2.40E+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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86130 (LDHA Inhibitor, 26) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86131 (LDHA Inhibitor, 27) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O7S2/c1-2-13-38-26-30-20-8-5-17(15-21(20)39-26)29-22(31)9-10-27-25(36)28-11-12-37-18-6-3-16(4-7-18)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86132 (LDHA Inhibitor, 28) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CCC(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H26N4O5S/c1-15-26-19-8-5-17(14-20(19)33-15)27-21(28)10-11-24-23(31)25-12-13-32-18-6-2-16(3-7-18)4-9-22(29)30/h2-3,5-8,14H,4,9-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86133 (LDHA Inhibitor, 29) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	69	n/a	n/a	n/a	7.4	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 (Rattus norvegicus (Rat))	BDBM86134 (LDHA Inhibitor, 30) Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H24N4O7S/c1-13-26-17-7-4-15(12-18(17)35-13)27-19(28)9-11-25-23(33)24-10-8-14-2-5-16(6-3-14)34-20(21(29)30)22(31)32/h2-7,12,20H,8-11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,24,25,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86135 (LDHA Inhibitor, 31) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O6S2/c1-2-13-37-26-30-20-8-7-18(15-21(20)38-26)29-22(31)10-12-28-25(36)27-11-9-16-3-5-17(6-4-16)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	7.4	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
L-lactate dehydrogenase A chain (Rattus norvegicus (Rat))	BDBM86136 (LDHA Inhibitor, 32) Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	7.4	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

Displayed 1 to 50 (of 73 total )  |  Next  |  Last  >>

Jump to: