Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50009026   

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))	BDBM50144744 (Sodium Oxamate) Show SMILES [Na+].NC(=O)C([O-])=O Show InChI InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of human LDHA expressed in Escherichia coli BL21 (DE3) using sodium pyruvate as substrate by Lineweaver-Burk plot method				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524670 (CHEMBL1611057) Show SMILES Fc1cccc(COc2coc(CN3CCN(CC3)C(=O)c3ccco3)cc2=O)c1 Show InChI InChI=1S/C22H21FN2O5/c23-17-4-1-3-16(11-17)14-30-21-15-29-18(12-19(21)26)13-24-6-8-25(9-7-24)22(27)20-5-2-10-28-20/h1-5,10-12,15H,6-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524652 (CHEMBL4556559) Show SMILES O=C(CCC1CCCCC1)N1CCN(CC1)c1ncnc2n(Cc3ccccc3)nnc12 Show InChI InChI=1S/C24H31N7O/c32-21(12-11-19-7-3-1-4-8-19)29-13-15-30(16-14-29)23-22-24(26-18-25-23)31(28-27-22)17-20-9-5-2-6-10-20/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524653 (CHEMBL4577089) Show SMILES COc1cccc2CC(Oc12)C(=O)N1CCC(Cn2ccnc2C(C)C)CC1 Show InChI InChI=1S/C22H29N3O3/c1-15(2)21-23-9-12-25(21)14-16-7-10-24(11-8-16)22(26)19-13-17-5-4-6-18(27-3)20(17)28-19/h4-6,9,12,15-16,19H,7-8,10-11,13-14H2,1-3H3	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	7.50E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524654 (CHEMBL4476280) Show SMILES O=C(CC1CSc2nc3n(ncc3c(=O)n12)-c1ccccc1)NCCCn1ccnc1 Show InChI InChI=1S/C21H21N7O2S/c29-18(23-7-4-9-26-10-8-22-14-26)11-16-13-31-21-25-19-17(20(30)27(16)21)12-24-28(19)15-5-2-1-3-6-15/h1-3,5-6,8,10,12,14,16H,4,7,9,11,13H2,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524655 (CHEMBL4450110) Show SMILES CC1CCC(CC1)c1nc(C)cc(OCC(=O)Nc2ccc(cc2)C(C)=O)n1 |(42.44,-36.62,;41.1,-35.85,;39.77,-36.61,;38.44,-35.85,;38.44,-34.31,;39.76,-33.53,;41.1,-34.3,;37.1,-33.55,;37.1,-32.01,;35.75,-31.24,;35.74,-29.7,;34.43,-32.02,;34.44,-33.55,;33.11,-34.32,;33.12,-35.86,;31.79,-36.64,;31.79,-38.18,;30.45,-35.87,;29.12,-36.65,;29.13,-38.2,;27.79,-38.97,;26.46,-38.2,;26.46,-36.66,;27.79,-35.89,;25.12,-38.97,;25.12,-40.51,;23.79,-38.2,;35.77,-34.32,)| Show InChI InChI=1S/C22H27N3O3/c1-14-4-6-18(7-5-14)22-23-15(2)12-21(25-22)28-13-20(27)24-19-10-8-17(9-11-19)16(3)26/h8-12,14,18H,4-7,13H2,1-3H3,(H,24,27)	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	1.20E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524656 (CHEMBL4515658) Show SMILES Cc1cc(ccn1)N1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 Show InChI InChI=1S/C21H24N4O2S/c1-16-14-19(7-11-22-16)25-12-8-17(9-13-25)15-24-28(26,27)20-6-2-4-18-5-3-10-23-21(18)20/h2-7,10-11,14,17,24H,8-9,12-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524657 (CHEMBL4462982) Show SMILES FC(F)(F)c1cccc(NC(=O)C(=O)NCC2CCN(CC2)c2ncccc2C#N)c1 Show InChI InChI=1S/C21H20F3N5O2/c22-21(23,24)16-4-1-5-17(11-16)28-20(31)19(30)27-13-14-6-9-29(10-7-14)18-15(12-25)3-2-8-26-18/h1-5,8,11,14H,6-7,9-10,13H2,(H,27,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524658 (CHEMBL4583436) Show SMILES COc1cccc(c1)N1CCN(CC1)C1CCN(CC1)C(=O)c1cnn2CCCOc12 Show InChI InChI=1S/C23H31N5O3/c1-30-20-5-2-4-19(16-20)26-13-11-25(12-14-26)18-6-9-27(10-7-18)22(29)21-17-24-28-8-3-15-31-23(21)28/h2,4-5,16-18H,3,6-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM197160 (GNE-140 (6)) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524659 (CHEMBL1436155) Show SMILES Clc1cccc(COc2coc(CN3CCN(CC3)C(=O)c3ccco3)cc2=O)c1 Show InChI InChI=1S/C22H21ClN2O5/c23-17-4-1-3-16(11-17)14-30-21-15-29-18(12-19(21)26)13-24-6-8-25(9-7-24)22(27)20-5-2-10-28-20/h1-5,10-12,15H,6-9,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524660 (CHEMBL1554905) Show SMILES Clc1ccccc1COc1coc(CN2CCN(CC2)C(=O)c2ccco2)cc1=O Show InChI InChI=1S/C22H21ClN2O5/c23-18-5-2-1-4-16(18)14-30-21-15-29-17(12-19(21)26)13-24-7-9-25(10-8-24)22(27)20-6-3-11-28-20/h1-6,11-12,15H,7-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524661 (CHEMBL4515017) Show SMILES Cc1cc(OC2CN(C2)C(=O)Cn2cnc(C)c(C)c2=O)cc(=O)n1C1CC1 Show InChI InChI=1S/C20H24N4O4/c1-12-6-16(7-18(25)24(12)15-4-5-15)28-17-8-22(9-17)19(26)10-23-11-21-14(3)13(2)20(23)27/h6-7,11,15,17H,4-5,8-10H2,1-3H3	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	6.40E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524662 (CHEMBL4454634) Show SMILES Cc1ccccc1OCC(=O)NCc1nn(C2CCCC2)c2CCOCc12 Show InChI InChI=1S/C21H27N3O3/c1-15-6-2-5-9-20(15)27-14-21(25)22-12-18-17-13-26-11-10-19(17)24(23-18)16-7-3-4-8-16/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50144744 (Sodium Oxamate) Show SMILES [Na+].NC(=O)C([O-])=O Show InChI InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524663 (CHEMBL4475383) Show SMILES COc1cc(CNC(=O)c2c3CCCn3c(=O)cc2OC)cc(OC)c1OC Show InChI InChI=1S/C20H24N2O6/c1-25-14-10-17(23)22-7-5-6-13(22)18(14)20(24)21-11-12-8-15(26-2)19(28-4)16(9-12)27-3/h8-10H,5-7,11H2,1-4H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524664 (CHEMBL4441824) Show SMILES COc1ccccc1OCC(=O)NC1CCC(CC1)Oc1nc(C)cc(C)n1 |(70.69,-58.35,;71.47,-57.02,;73.01,-57.03,;73.77,-58.37,;75.31,-58.37,;76.08,-57.04,;75.32,-55.72,;73.78,-55.71,;73.02,-54.37,;73.8,-53.04,;75.34,-53.05,;76.1,-54.39,;76.12,-51.72,;77.66,-51.73,;78.44,-50.4,;79.98,-50.41,;80.74,-51.75,;79.96,-53.08,;78.42,-53.07,;82.28,-51.76,;83.06,-50.43,;84.6,-50.44,;85.37,-49.11,;86.91,-49.12,;84.61,-47.77,;83.07,-47.76,;82.31,-46.42,;82.29,-49.09,)| Show InChI InChI=1S/C21H27N3O4/c1-14-12-15(2)23-21(22-14)28-17-10-8-16(9-11-17)24-20(25)13-27-19-7-5-4-6-18(19)26-3/h4-7,12,16-17H,8-11,13H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524665 (CHEMBL1888862) Show SMILES Fc1ccc(COc2coc(CN3CCN(CC3)C(=O)c3ccco3)cc2=O)cc1 Show InChI InChI=1S/C22H21FN2O5/c23-17-5-3-16(4-6-17)14-30-21-15-29-18(12-19(21)26)13-24-7-9-25(10-8-24)22(27)20-2-1-11-28-20/h1-6,11-12,15H,7-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524666 (CHEMBL1440413) Show SMILES O=C(N1CCN(Cc2cc(=O)c(OCc3ccccc3)co2)CC1)c1ccco1 Show InChI InChI=1S/C22H22N2O5/c25-19-13-18(28-16-21(19)29-15-17-5-2-1-3-6-17)14-23-8-10-24(11-9-23)22(26)20-7-4-12-27-20/h1-7,12-13,16H,8-11,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524667 (CHEMBL4441804) Show SMILES O=C(CNC(=O)c1ccccc1)N1CCCC(Cc2nc(no2)C2CC2)C1 Show InChI InChI=1S/C20H24N4O3/c25-18(12-21-20(26)16-6-2-1-3-7-16)24-10-4-5-14(13-24)11-17-22-19(23-27-17)15-8-9-15/h1-3,6-7,14-15H,4-5,8-13H2,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524668 (CHEMBL4445248) Show SMILES CN(C)c1cncc(OC2CCN(C2)C(=O)Cn2cnc(C)c(C)c2=O)n1 Show InChI InChI=1S/C18H24N6O3/c1-12-13(2)20-11-24(18(12)26)10-17(25)23-6-5-14(9-23)27-16-8-19-7-15(21-16)22(3)4/h7-8,11,14H,5-6,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524669 (CHEMBL1555353) Show SMILES Fc1cccc(Cl)c1COc1coc(CN2CCN(CC2)C(=O)c2ccco2)cc1=O Show InChI InChI=1S/C22H20ClFN2O5/c23-17-3-1-4-18(24)16(17)13-31-21-14-30-15(11-19(21)27)12-25-6-8-26(9-7-25)22(28)20-5-2-10-29-20/h1-5,10-11,14H,6-9,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524650 (CHEMBL4461387) Show SMILES O=C(Cn1cnc2ccccc2c1=O)N1CCN(CC1)C(=O)c1cc2CCCCn2n1 Show InChI InChI=1S/C22H24N6O3/c29-20(14-27-15-23-18-7-2-1-6-17(18)21(27)30)25-9-11-26(12-10-25)22(31)19-13-16-5-3-4-8-28(16)24-19/h1-2,6-7,13,15H,3-5,8-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	890	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524651 (CHEMBL1559855) Show SMILES Fc1ccccc1COc1coc(CN2CCN(CC2)C(=O)c2ccco2)cc1=O Show InChI InChI=1S/C22H21FN2O5/c23-18-5-2-1-4-16(18)14-30-21-15-29-17(12-19(21)26)13-24-7-9-25(10-8-24)22(27)20-6-3-11-28-20/h1-6,11-12,15H,7-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
					More data for this Ligand-Target Pair