Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50035170 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 |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096597
(CHEMBL3350919 | NAD+ analogue)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096597
(CHEMBL3350919 | NAD+ analogue)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096597
(CHEMBL3350919 | NAD+ analogue)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096598
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096598
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096598
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096600
(CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096600
(CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096600
(CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096600
(CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096598
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50096597
(CHEMBL3350919 | NAD+ analogue)Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p-1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50366763
(BETANMN)Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |
Glyceraldehyde-3-phosphate dehydrogenase
(Homo sapiens (Human)) | BDBM50366763
(BETANMN)Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH) |
Bioorg Med Chem Lett 11: 95-8 (2001)
BindingDB Entry DOI: 10.7270/Q2F76D3N |
More data for this Ligand-Target Pair | |