Compile Data Set for Download or QSAR

Found 41 hits of ec50 for UniProtKB: P00338   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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	7.20	n/a	n/a	n/a	n/a
Capital Medical University Curated by ChEMBL					Assay Description Inhibition of human LDH5 using pyruvate as substrate after 10 mins				Bioorg Med Chem Lett 28: 2229-2233 (2018) Article DOI: 10.1016/j.bmcl.2018.05.052 BindingDB Entry DOI: 10.7270/Q21V5HGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50250655 (CHEMBL4059985 | US10961200, Compound 189 | US11247...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C24H22N4O4S2/c25-34(31,32)18-10-8-15(9-11-18)12-19-21(13-16-6-7-16)28(24-26-20(14-33-24)23(29)30)27-22(19)17-4-2-1-3-5-17/h1-5,8-11,14,16H,6-7,12-13H2,(H,29,30)(H2,25,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250656 (CHEMBL4081890 | US11247971, Cmpd ID 276) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250677 (CHEMBL4100845 | US10961200, Compound 52 | US112479...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1 Show InChI InChI=1S/C29H24N4O4S2/c30-39(36,37)23-13-9-18(10-14-23)15-24-26(22-8-4-7-21(16-22)19-5-2-1-3-6-19)32-33(27(24)20-11-12-20)29-31-25(17-38-29)28(34)35/h1-10,13-14,16-17,20H,11-12,15H2,(H,34,35)(H2,30,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair
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))	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))	BDBM50275214 (CHEMBL4126746) Show SMILES COc1cccc(CN2CCCCC22CC2)c1OC[C@@H](O)CN1CCOCC1 |r| Show InChI InChI=1S/C22H34N2O4/c1-26-20-6-4-5-18(15-24-10-3-2-7-22(24)8-9-22)21(20)28-17-19(25)16-23-11-13-27-14-12-23/h4-6,19,25H,2-3,7-17H2,1H3/t19-/m0/s1	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	390	n/a	n/a	n/a	n/a
Capital Medical University Curated by ChEMBL					Assay Description Inhibition of human LDH5 using pyruvate as substrate after 10 mins				Bioorg Med Chem Lett 28: 2229-2233 (2018) Article DOI: 10.1016/j.bmcl.2018.05.052 BindingDB Entry DOI: 10.7270/Q21V5HGX
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50539400 (CHEMBL4648371) Show SMILES CC(C)Cc1nc2cc(ccc2[nH]1)-n1c[n+]([O-])c(C(=O)Nc2ccccc2)c1C Show InChI InChI=1S/C22H23N5O2/c1-14(2)11-20-24-18-10-9-17(12-19(18)25-20)26-13-27(29)21(15(26)3)22(28)23-16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H,23,28)(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	670	n/a	n/a	n/a	n/a
Jilin University China-Japan Union Hospital Curated by ChEMBL					Assay Description Inhibition of human LDHA using NADH and pyruvate by microplate reader based assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126909 BindingDB Entry DOI: 10.7270/Q2Z60SKH
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50275213 (CHEMBL4126939) Show SMILES Cc1cccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1C |r| Show InChI InChI=1S/C29H33N3O4/c1-20-6-3-11-26(21(20)2)36-19-23(33)18-31-14-12-30(13-15-31)16-17-32-28(34)24-9-4-7-22-8-5-10-25(27(22)24)29(32)35/h3-11,23,33H,12-19H2,1-2H3/t23-/m1/s1	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	670	n/a	n/a	n/a	n/a
Capital Medical University Curated by ChEMBL					Assay Description Inhibition of human LDH5 using pyruvate as substrate after 10 mins				Bioorg Med Chem Lett 28: 2229-2233 (2018) Article DOI: 10.1016/j.bmcl.2018.05.052 BindingDB Entry DOI: 10.7270/Q21V5HGX
					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))	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
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))	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))	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	1.26E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					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))	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))	BDBM50250648 (CHEMBL4080497 | US10961200, Compound 20 | US112479...) Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C26H20N4O4S2/c27-36(33,34)22-11-9-17(10-12-22)13-21-15-30(26-28-23(16-35-26)25(31)32)29-24(21)20-8-4-7-19(14-20)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					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))	BDBM50539401 (CHEMBL4635477) Show SMILES COc1ccc(cc1N1CCCCS1(=O)=O)-n1c[n+]([O-])c(C(=O)Nc2ccccc2)c1C Show InChI InChI=1S/C22H24N4O5S/c1-16-21(22(27)23-17-8-4-3-5-9-17)25(28)15-24(16)18-10-11-20(31-2)19(14-18)26-12-6-7-13-32(26,29)30/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3,(H,23,27)	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	3.03E+3	n/a	n/a	n/a	n/a
Jilin University China-Japan Union Hospital Curated by ChEMBL					Assay Description Inhibition of human LDHA using NADH and pyruvate by microplate reader based assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126909 BindingDB Entry DOI: 10.7270/Q2Z60SKH
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50539402 (CHEMBL4645847) Show SMILES Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2occc(=O)c2c1 Show InChI InChI=1S/C20H15N3O4/c1-13-19(20(25)21-14-5-3-2-4-6-14)23(26)12-22(13)15-7-8-18-16(11-15)17(24)9-10-27-18/h2-12H,1H3,(H,21,25)	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	3.26E+3	n/a	n/a	n/a	n/a
Jilin University China-Japan Union Hospital Curated by ChEMBL					Assay Description Inhibition of human LDHA using NADH and pyruvate by microplate reader based assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126909 BindingDB Entry DOI: 10.7270/Q2Z60SKH
					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))	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))	BDBM50250674 (CHEMBL4076973 | US10961200, Compound 53 | US112479...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C20H14F2N4O5S2/c21-14-6-3-11(8-15(14)22)17-13(7-10-1-4-12(5-2-10)33(23,30)31)18(27)26(25-17)20-24-16(9-32-20)19(28)29/h1-6,8-9,27H,7H2,(H,28,29)(H2,23,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	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))	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))	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))	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))	BDBM50103568 (CHEMBL3335794) Show SMILES COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1 Show InChI InChI=1S/C31H25F2N5O7S/c1-43-29-25(14-35-31(37-29)44-2)16-3-6-24-26(9-16)34-15-27(46(41,42)38-20-4-5-20)28(24)36-21-7-17(30(39)40)8-22(13-21)45-23-11-18(32)10-19(33)12-23/h3,6-15,20,38H,4-5H2,1-2H3,(H,34,36)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.18E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					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))	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))	BDBM50250685 (CHEMBL1479261 | US10961200, Compound 62 | US112479...) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C14H8F3N3O2S/c15-14(16,17)11-6-9(8-4-2-1-3-5-8)19-20(11)13-18-10(7-23-13)12(21)22/h1-7H,(H,21,22)	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	>1.00E+5	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250652 (CHEMBL4101800 | US10961200, Compound 42 | US112479...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H19F3N4O4S2/c28-27(29,30)24-21(13-16-9-11-20(12-10-16)40(31,37)38)23(33-34(24)26-32-22(15-39-26)25(35)36)19-8-4-7-18(14-19)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,35,36)(H2,31,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
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L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50527803 (CHEMBL4557180) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r| Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/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	n/a	n/a	1.72E+5	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged human LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as induction of protein disruption ...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955 BindingDB Entry DOI: 10.7270/Q2TB1BCZ
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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
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