Found 11 hits 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
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| 160 | n/a | n/a | 160 | n/a | 0.120 | 7.80E+5 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (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 The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP). |
Bioorg Med Chem Lett 3: 2857-2862 (1993)
Article DOI: 10.1016/S0960-894X(01)80779-4 BindingDB Entry DOI: 10.7270/Q2SX6D43 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (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 Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant of the at EPSP synthase was determined |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | n/a | n/a | n/a | n/a | 7.79E+5 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the dissociation constant against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
Article DOI: 10.1016/S0960-894X(01)80780-0 BindingDB Entry DOI: 10.7270/Q2P55NF4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM50281349
(CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | 7.0 | 20 |
Monsanto Agricultural Company
| |
Biochemistry 27: 1604-10 (1988)
Article DOI: 10.1021/bi00405a032 BindingDB Entry DOI: 10.7270/Q2J101SN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (Escherichia coli (strain K12)) | BDBM100283
((3R,4S,5R)-4,5-dihydroxy-3-phosphonooxycyclohexene...)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)/t4-,5-,6+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | 7.0 | 20 |
Monsanto Agricultural Company
| |
Biochemistry 27: 1604-10 (1988)
Article DOI: 10.1021/bi00405a032 BindingDB Entry DOI: 10.7270/Q2J101SN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(426/427 > 99%)† (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) |