Compile Data Set for Download or QSAR

Found 106 hits of kd data for polymerid = 5051   

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))	BDBM489093 (2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((5- (tri...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3ccc(o3)C(F)(F)F)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C30H23F5N4O6S2/c31-20-6-4-17(12-24(20)44-13-18-5-8-26(45-18)30(33,34)35)27-19(9-16-3-7-25(21(32)10-16)47(36,42)43)23(11-15-1-2-15)39(38-27)29-37-22(14-46-29)28(40)41/h3-8,10,12,14-15H,1-2,9,11,13H2,(H,40,41)(H2,36,42,43)	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	0.00100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489092 (2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(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	Article PubMed	n/a	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM537077 (US11247971, Cmpd ID 400) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI	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	0.00800	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM537017 (US11247971, Cmpd ID 340) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI	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	0.0160	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546973 (CHEMBL4782843 | US11247971, Cmpd ID 258) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCCC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.0193	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human His-tagged LDHA by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50547002 (CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...) Show SMILES Cc1ccc(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.0634	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human His-tagged LDHA by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546993 (CHEMBL4748782 | US11247971, Cmpd ID 408 | US117521...) Show SMILES Cc1ccc(s1)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O Show InChI	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	0.0667	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human His-tagged LDHA by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	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	0.110	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay				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))	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	0.110	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human His-tagged LDHA by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50546988 (CHEMBL4787852 | US11247971, Cmpd ID 411) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCC2CCCC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	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	0.123	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human His-tagged LDHA by SPR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00916 BindingDB Entry DOI: 10.7270/Q2057KJ6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	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	0.330	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay				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))	BDBM50569438 (CHEMBL4847591) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F Show InChI	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	0.440	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489147 (2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)	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	0.910	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489129 (2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(p- tolyl...) Show SMILES Cc1ccc(Oc2cc(ccc2F)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C31H26F2N4O5S2/c1-17-2-8-21(9-3-17)42-27-15-20(7-10-23(27)32)29-22(12-19-6-11-28(24(33)13-19)44(34,40)41)26(14-18-4-5-18)37(36-29)31-35-25(16-43-31)30(38)39/h2-3,6-11,13,15-16,18H,4-5,12,14H2,1H3,(H,38,39)(H2,34,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM489104 (2-(5- (cyclopropylmethyl)- 3-(3- (phenylamino)phen...) Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(Nc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1 Show InChI InChI=1S/C30H27N5O4S2/c31-41(38,39)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)35(30-33-26(18-40-30)29(36)37)34-28(25)21-5-4-8-23(17-21)32-22-6-2-1-3-7-22/h1-8,11-14,17-18,20,32H,9-10,15-16H2,(H,36,37)(H2,31,38,39)	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	1.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LDHA (unknown origin) by SPR analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127974 BindingDB Entry DOI: 10.7270/Q24J0JV6
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	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	1.70	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in absence of NADH by SPR assay				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))	BDBM50425797 (CHEMBL2316885) Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C33H32ClFN4O11S/c1-49-27-10-26(21(34)9-23(27)39-28(42)15-51-29-5-3-17(12-38-29)33(47)48)50-14-25(41)31(44)30(43)24(40)13-36-20-7-18(6-19(35)8-20)22-4-2-16(11-37-22)32(45)46/h2-12,24-25,30-31,36,40-41,43-44H,13-15H2,1H3,(H,39,42)(H,45,46)(H,47,48)/t24-,25-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					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	59	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay				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))	BDBM50425798 (CHEMBL2316886) Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50425796 (CHEMBL2316884) Show SMILES COc1cc(OCCCNC(=O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O Show InChI InChI=1S/C32H28ClFN4O9S/c1-45-27-13-26(23(33)12-25(27)38-29(40)17-48-30-6-4-19(15-37-30)32(43)44)46-8-2-7-35-28(39)16-47-22-10-20(9-21(34)11-22)24-5-3-18(14-36-24)31(41)42/h3-6,9-15H,2,7-8,16-17H2,1H3,(H,35,39)(H,38,40)(H,41,42)(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50425794 (CHEMBL2316883) Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccccn1 |r| Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-4-2-3-7-35-29)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-6-5-17(13-37-22)32(44)45/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052247 (CHEMBL3318482) Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1| Show InChI InChI=1S/C19H13BrClNO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052331 (CHEMBL3318476) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl |c:1| Show InChI InChI=1S/C18H12BrCl3O2S/c19-10-5-6-12(21)16(17(10)22)9-7-13(23)18(14(24)8-9)25-15-4-2-1-3-11(15)20/h1-6,9,23H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					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	370	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay				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))	BDBM50052246 (CHEMBL3318481) Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1| Show InChI InChI=1S/C19H13Cl2NO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052258 (CHEMBL3318471) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1| Show InChI InChI=1S/C18H13BrCl2O2S/c19-11-4-3-6-13(21)17(11)10-8-14(22)18(15(23)9-10)24-16-7-2-1-5-12(16)20/h1-7,10,22H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052259 (CHEMBL3318472) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1| Show InChI InChI=1S/C19H13Cl2F3O2S/c20-12-5-1-2-7-16(12)27-18-14(25)8-10(9-15(18)26)17-11(19(22,23)24)4-3-6-13(17)21/h1-7,10,25H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50425799 (CHEMBL2316888) Show SMILES COc1cc(OCCCOCCCOc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O Show InChI InChI=1S/C33H31ClFN3O9S/c1-44-29-16-28(25(34)15-27(29)38-30(39)19-48-31-7-5-21(18-37-31)33(42)43)47-11-3-9-45-8-2-10-46-24-13-22(12-23(35)14-24)26-6-4-20(17-36-26)32(40)41/h4-7,12-18H,2-3,8-11,19H2,1H3,(H,38,39)(H,40,41)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					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	1.02E+3	n/a	n/a	n/a	n/a	n/a
The 5th Affiliated Hospital of Shenzhen University Health Science Center Curated by ChEMBL					Assay Description Binding affinity to His-tagged human LDHA in presence of NAD+ by isothermal titration calorimetry				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))	BDBM50052249 (CHEMBL3318423) Show SMILES OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1| Show InChI InChI=1S/C19H15NO2S/c20-12-14-8-4-5-9-18(14)23-19-16(21)10-15(11-17(19)22)13-6-2-1-3-7-13/h1-9,15,21H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1| Show InChI InChI=1S/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50433843 (CHEMBL2382401) Show SMILES CC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					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	2.41E+3	n/a	n/a	n/a	n/a	n/a
Jilin University China-Japan Union Hospital Curated by ChEMBL					Assay Description Binding affinity at human LDHA assessed as dissociation constant by isothermal titration calorimetry				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))	BDBM50433841 (CHEMBL2382403) Show SMILES CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H15ClFN5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50425793 (CHEMBL2316881) Show SMILES COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccccn2)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-6-5-17(13-37-29)32(44)45)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-4-2-3-7-35-22/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis				J Med Chem 56: 1023-40 (2013) Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441118 (CHEMBL2430734) Show SMILES COc1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C20H20N4O3/c1-12(13-6-4-3-5-7-13)23-19-18(21)22-11-16(24-19)15-10-14(20(25)26)8-9-17(15)27-2/h3-12H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441120 (CHEMBL2430732) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2/c1-12-8-9-15(20(25)26)10-16(12)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50433840 (CHEMBL2382404) Show SMILES CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18ClN5O4S2/c1-2-17(20(29)25-14-7-9-15(10-8-14)33(24,30)31)32-21-26-18(16(11-23)19(28)27-21)12-3-5-13(22)6-4-12/h3-10,17H,2H2,1H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052248 (5-hydroxy-4-((2-nitrophenyl)thio)-1,6-dihydro-[1,1...) Show SMILES OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1 |c:1| Show InChI InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,20H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay in presence of +NADH				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50040030 (4-((2-chlorophenyl)thio)-5-hydroxy-1,6-dihydro-[1,...) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1| Show InChI InChI=1S/C18H15ClO2S/c19-14-8-4-5-9-17(14)22-18-15(20)10-13(11-16(18)21)12-6-2-1-3-7-12/h1-9,13,20H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441119 (CHEMBL2430733) Show SMILES CC(C)c1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r| Show InChI InChI=1S/C22H24N4O2/c1-13(2)17-10-9-16(22(27)28)11-18(17)19-12-24-20(23)21(26-19)25-14(3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H2,23,24)(H,25,26)(H,27,28)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441117 (CHEMBL2430735) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1Cl)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C19H17ClN4O2/c1-11(12-5-3-2-4-6-12)23-18-17(21)22-10-16(24-18)14-9-13(19(25)26)7-8-15(14)20/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441115 (CHEMBL2430713) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H17ClN4O2/c1-11(12-5-7-15(20)8-6-12)23-18-17(21)22-10-16(24-18)13-3-2-4-14(9-13)19(25)26/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50433842 (CHEMBL2382402) Show SMILES CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50433836 (CHEMBL2382337) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H14ClN5O4S2/c20-12-3-1-11(2-4-12)17-15(9-21)18(27)25-19(24-17)30-10-16(26)23-13-5-7-14(8-6-13)31(22,28)29/h1-8H,10H2,(H,23,26)(H2,22,28,29)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					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	6.41E+3	n/a	n/a	n/a	n/a	n/a
Jilin University China-Japan Union Hospital Curated by ChEMBL					Assay Description Binding affinity at human LDHA assessed as dissociation constant by isothermal titration calorimetry				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))	BDBM50441113 (CHEMBL2430716) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)C1CCCCC1 |r| Show InChI InChI=1S/C19H24N4O2/c1-12(13-6-3-2-4-7-13)22-18-17(20)21-11-16(23-18)14-8-5-9-15(10-14)19(24)25/h5,8-13H,2-4,6-7H2,1H3,(H2,20,21)(H,22,23)(H,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441132 (CHEMBL2430737) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C19H18N4O2/c1-12(13-6-3-2-4-7-13)22-18-17(20)21-11-16(23-18)14-8-5-9-15(10-14)19(24)25/h2-12H,1H3,(H2,20,21)(H,22,23)(H,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441121 (CHEMBL2430731) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1cc(C)cc(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2/c1-12-8-15(10-16(9-12)20(25)26)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052251 (CHEMBL3318466) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1 |c:1| Show InChI InChI=1S/C18H14Cl2O2S/c19-13-5-3-4-11(8-13)12-9-15(21)18(16(22)10-12)23-17-7-2-1-6-14(17)20/h1-8,12,21H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair

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