Found 73 hits Enz. Inhib. hit(s) with all data for entry = 5399 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86138
(LDHA Inhibitor, 34)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C27H31N3O6S2/c1-2-14-37-27-30-21-11-10-19(16-22(21)38-27)29-24(32)12-13-28-23(31)5-3-4-17-6-8-18(9-7-17)15-20(25(33)34)26(35)36/h6-11,16,20H,2-5,12-15H2,1H3,(H,28,31)(H,29,32)(H,33,34)(H,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86135
(LDHA Inhibitor, 31)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O6S2/c1-2-13-37-26-30-20-8-7-18(15-21(20)38-26)29-22(31)10-12-28-25(36)27-11-9-16-3-5-17(6-4-16)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86137
(LDHA Inhibitor, 33)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)CCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H27N3O6S/c1-15-27-20-10-9-18(14-21(20)35-15)28-23(30)11-12-26-22(29)4-2-3-16-5-7-17(8-6-16)13-19(24(31)32)25(33)34/h5-10,14,19H,2-4,11-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86133
(LDHA Inhibitor, 29)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86131
(LDHA Inhibitor, 27)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O7S2/c1-2-13-38-26-30-20-8-5-17(15-21(20)39-26)29-22(31)9-10-27-25(36)28-11-12-37-18-6-3-16(4-7-18)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86130
(LDHA Inhibitor, 26)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86136
(LDHA Inhibitor, 32)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase B chain
(Homo sapiens (Human)) | BDBM23251
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase B chain
(Homo sapiens (Human)) | BDBM86114
(LDHA Inhibitor, 8)Show SMILES NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3| Show InChI InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86134
(LDHA Inhibitor, 30)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H24N4O7S/c1-13-26-17-7-4-15(12-18(17)35-13)27-19(28)9-11-25-23(33)24-10-8-14-2-5-16(6-3-14)34-20(21(29)30)22(31)32/h2-7,12,20H,8-11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,24,25,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.95E+4 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86132
(LDHA Inhibitor, 28)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CCC(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H26N4O5S/c1-15-26-19-8-5-17(14-20(19)33-15)27-21(28)10-11-24-23(31)25-12-13-32-18-6-2-16(3-7-18)4-9-22(29)30/h2-3,5-8,14H,4,9-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.62E+4 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM86114
(LDHA Inhibitor, 8)Show SMILES NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3| Show InChI InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM23251
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.50E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86117
(LDHA Inhibitor, 12)Show InChI InChI=1S/C10H11N3OS/c1-6(14)12-7-3-4-8-9(5-7)15-10(11-2)13-8/h3-5H,1-2H3,(H,11,13)(H,12,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86118
(LDHA Inhibitor, 13)Show InChI InChI=1S/C10H9NO3S/c11-15(13,14)10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6,12H,(H2,11,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86123
(LDHA Inhibitor, 18)Show InChI InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-4,8H,1,5-7H2,(H,15,17)(H,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
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MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86122
(LDHA Inhibitor, 17)Show InChI InChI=1S/C14H16N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h3-4,8H,2,5-7H2,1H3,(H,15,17)(H,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86121
(LDHA Inhibitor, 16)Show InChI InChI=1S/C12H12N2O3S/c1-7-13-9-3-2-8(6-10(9)18-7)14-11(15)4-5-12(16)17/h2-3,6H,4-5H2,1H3,(H,14,15)(H,16,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86120
(LDHA Inhibitor, 15)Show InChI InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM50078827
(2-(pyridin-3-yl)-1H-benzo[d]imidazole | 2-Pyridin-...)Show InChI InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15) | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86115
(LDHA Inhibitor, 9)Show InChI InChI=1S/C12H9N3O/c16-12-10-7-4-8-13-11(10)15(14-12)9-5-2-1-3-6-9/h1-8H,(H,14,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86129
(LDHA Inhibitor, 25)Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86128
(LDHA Inhibitor, 24)Show InChI InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86127
(LDHA Inhibitor, 23)Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86126
(LDHA Inhibitor, 22)Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18) | PDB MMDB
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| MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50192453
(AMP(2-) | Adenosine-5-monophosphate | LDHA Inhibit...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50219487
(1-hydroxy-2-naphthoate | 1-hydroxy-2-naphthoic aci...)Show InChI InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50339607
(1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...)Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50066974
(7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthale...)Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12 Show InChI InChI=1S/C22H22O4/c1-3-7-16-17-10-13(2)15(11-14-8-5-4-6-9-14)12-18(17)19(22(25)26)21(24)20(16)23/h4-6,8-10,12,23-24H,3,7,11H2,1-2H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM86113
(LDHA Inhibitor, 7)Show SMILES NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O |r,c:6,t:3| Show InChI InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/p-2/t7-,8-,9-,11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86125
(LDHA Inhibitor, 21)Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16) | PDB MMDB
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MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86124
(LDHA Inhibitor, 20)Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86119
(LDHA Inhibitor, 14)Show InChI InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) | PDB MMDB
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MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86116
(LDHA Inhibitor, 11)Show InChI InChI=1S/C11H13N3O/c1-15-7-6-12-11-9-4-2-3-5-10(9)13-8-14-11/h2-5,8H,6-7H2,1H3,(H,12,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 21 |
AstraZeneca
| Assay Description Enzyme assay using lactate dehydrogenase A (LDHA). |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86124
(LDHA Inhibitor, 20)Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86125
(LDHA Inhibitor, 21)Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16) | PDB MMDB
KEGG
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MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | 2.80E+5 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86124
(LDHA Inhibitor, 20)Show InChI InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | n/a | 4.70E+5 | n/a | n/a | n/a | 7.5 | n/a |
AstraZeneca
| Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u... |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86125
(LDHA Inhibitor, 21)Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16) | PDB MMDB
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Patents
| PDB Article PubMed
| n/a | n/a | n/a | 1.00E+6 | n/a | n/a | n/a | 7.5 | n/a |
AstraZeneca
| Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u... |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86126
(LDHA Inhibitor, 22)Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 7.70E+5 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86127
(LDHA Inhibitor, 23)Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86128
(LDHA Inhibitor, 24)Show InChI InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86129
(LDHA Inhibitor, 25)Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86129
(LDHA Inhibitor, 25)Show InChI InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15) | PDB MMDB
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UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | 2.40E+5 | n/a | n/a | n/a | 7.5 | n/a |
AstraZeneca
| Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u... |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86130
(LDHA Inhibitor, 26)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 130 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86131
(LDHA Inhibitor, 27)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O7S2/c1-2-13-38-26-30-20-8-5-17(15-21(20)39-26)29-22(31)9-10-27-25(36)28-11-12-37-18-6-3-16(4-7-18)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86132
(LDHA Inhibitor, 28)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCOc3ccc(CCC(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H26N4O5S/c1-15-26-19-8-5-17(14-20(19)33-15)27-21(28)10-11-24-23(31)25-12-13-32-18-6-2-16(3-7-18)4-9-22(29)30/h2-3,5-8,14H,4,9-13H2,1H3,(H,27,28)(H,29,30)(H2,24,25,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86133
(LDHA Inhibitor, 29)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 69 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86134
(LDHA Inhibitor, 30)Show SMILES Cc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C23H24N4O7S/c1-13-26-17-7-4-15(12-18(17)35-13)27-19(28)9-11-25-23(33)24-10-8-14-2-5-16(6-3-14)34-20(21(29)30)22(31)32/h2-7,12,20H,8-11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,24,25,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86135
(LDHA Inhibitor, 31)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(CC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C26H30N4O6S2/c1-2-13-37-26-30-20-8-7-18(15-21(20)38-26)29-22(31)10-12-28-25(36)27-11-9-16-3-5-17(6-4-16)14-19(23(32)33)24(34)35/h3-8,15,19H,2,9-14H2,1H3,(H,29,31)(H,32,33)(H,34,35)(H2,27,28,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 60 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |
L-lactate dehydrogenase A chain
(Rattus norvegicus (Rat)) | BDBM86136
(LDHA Inhibitor, 32)Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1 Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | 7.4 | n/a |
AstraZeneca
| Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. |
J Med Chem 55: 3285-306 (2012)
Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896 |
More data for this Ligand-Target Pair | |