Found 20 hits of Enzyme Inhibition Constant Data 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 |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283574
(3-(Carboxy-phosphono-methoxy)-5-phosphonooxy-benzo...)Show SMILES OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H10O12P2/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)/p-4 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283579
(CHEMBL314675 | Di sodium;3,5-Bis-phosphonooxy-benz...)Show SMILES OC(=O)c1cc(OP(O)([O-])=O)cc(OP(O)([O-])=O)c1 Show InChI InChI=1S/C7H8O10P2/c8-7(9)4-1-5(16-18(10,11)12)3-6(2-4)17-19(13,14)15/h1-3H,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283578
((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...)Show SMILES O[C@@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O |c:4| Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/t5-,6-,8-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283582
(2-(3-Carboxy-5-dicarboxymethoxy-phenoxy)-malonic a...)Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)C(O)=O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10O12/c14-9(15)4-1-5(24-7(10(16)17)11(18)19)3-6(2-4)25-8(12(20)21)13(22)23/h1-3,7-8H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283574
(3-(Carboxy-phosphono-methoxy)-5-phosphonooxy-benzo...)Show SMILES OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H10O12P2/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)/p-4 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283579
(CHEMBL314675 | Di sodium;3,5-Bis-phosphonooxy-benz...)Show SMILES OC(=O)c1cc(OP(O)([O-])=O)cc(OP(O)([O-])=O)c1 Show InChI InChI=1S/C7H8O10P2/c8-7(9)4-1-5(16-18(10,11)12)3-6(2-4)17-19(13,14)15/h1-3H,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283578
((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...)Show SMILES O[C@@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O |c:4| Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/t5-,6-,8-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283582
(2-(3-Carboxy-5-dicarboxymethoxy-phenoxy)-malonic a...)Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)C(O)=O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10O12/c14-9(15)4-1-5(24-7(10(16)17)11(18)19)3-6(2-4)25-8(12(20)21)13(22)23/h1-3,7-8H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283575
(3-Carboxymethoxy-5-phosphonooxy-benzoic acid; tris...)Show SMILES OP([O-])(=O)Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H9O9P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18-19(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283583
(CHEMBL314530 | sodium 3-(carboxylatomethoxy)-5-(di...)Show SMILES OC(=O)C(Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O)C(O)=O Show InChI InChI=1S/C12H10O10/c13-8(14)4-21-6-1-5(10(15)16)2-7(3-6)22-9(11(17)18)12(19)20/h1-3,9H,4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283584
(CHEMBL88887 | disodium hydrogen 3-carboxy-5-[(hydr...)Show SMILES OC(=O)c1cc(CP(O)([O-])=O)cc(CP(O)([O-])=O)c1 Show InChI InChI=1S/C9H12O8P2/c10-9(11)8-2-6(4-18(12,13)14)1-7(3-8)5-19(15,16)17/h1-3H,4-5H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283580
(CHEMBL432180 | Tri-Sodium; 3-carboxymethoxy-5-(hyd...)Show SMILES OP(O)([O-])C(=O)c1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H10O9P/c11-8(12)4-19-7-2-5(9(13)14)1-6(3-7)10(15)20(16,17)18/h1-3,16-17,20H,4H2,(H,11,12)(H,13,14)/q-1/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283581
(3-Hydroxy-5-phosphonooxy-benzoic acid;disodium | C...)Show InChI InChI=1S/C7H7O7P/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H2,11,12,13)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 7.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283572
(CHEMBL262641 | Sodium; (3-carboxy-5-phosphonomethy...)Show SMILES OP([O-])(=O)Cc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H11O8P/c11-9(12)4-18-8-2-6(5-19(15,16)17)1-7(3-8)10(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14)(H2,15,16,17)/p-3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283586
(3-Hydroxy-5-(hydroxy-phosphonomethyl)-benzoic acid...)Show InChI InChI=1S/C8H8O7P/c9-6-2-4(7(10)11)1-5(3-6)8(12)16(13,14)15/h1-3,9,13-14,16H,(H,10,11)/q-1/p-1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283585
(CHEMBL89228 | Sodium; 3-dicarboxymethoxy-5-hydroxy...)Show InChI InChI=1S/C10H8O8/c11-5-1-4(8(12)13)2-6(3-5)18-7(9(14)15)10(16)17/h1-3,7,11H,(H,12,13)(H,14,15)(H,16,17)/p-1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283577
(CHEMBL88094 | Sodium; (3-carboxy-5-phosphono-pheno...)Show InChI InChI=1S/C9H9O8P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50283573
(CHEMBL89190 | Sodium; 3-hydroxy-5-phosphonomethyl-...)Show InChI InChI=1S/C8H9O6P/c9-7-2-5(4-15(12,13)14)1-6(3-7)8(10)11/h1-3,9H,4H2,(H,10,11)(H2,12,13,14)/p-1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | >8.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50281341
((3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(ph...)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OC(=C)C(O)=O |c:4| Show InChI InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280242
((3R,4S,5R)-4,5-Dihydroxy-3-phosphonooxy-cyclohex-1...)Show SMILES O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Bioorg Med Chem Lett 4: 2605-2608 (1994)
Article DOI: 10.1016/S0960-894X(01)80293-6 BindingDB Entry DOI: 10.7270/Q25M666T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |