Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029089   

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))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O 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 (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O 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 (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	610	n/a	n/a	500	n/a	0.160	3.20E+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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281355 (CHEMBL96010 | [nitroso(phosphonomethyl)amino]aceti...) Show SMILES OC(=O)CN(CP(O)(O)=O)N=O Show InChI InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	2.20E+3	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 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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281353 ((Hydroxy-phosphonomethyl-amino)-acetic acid | CHEM...) Show SMILES ON(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H8NO6P/c5-3(6)1-4(7)2-11(8,9)10/h7H,1-2H2,(H,5,6)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.20E+3	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 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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281354 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...) Show SMILES CN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	7.80E+4	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 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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281351 ((Phosphonomethyl-amino)-acetic acid methyl ester |...) Show SMILES COC(=O)CNCP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition against 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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O 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 (Escherichia coli (strain K12))	BDBM50281350 ((1-Phosphono-ethylamino)-acetic acid | CHEMBL33043...) Show SMILES CC(NCC(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(11(8,9)10)5-2-4(6)7/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281356 (3-Amino-4-phosphono-butyric acid | CHEMBL98402) Show SMILES NC(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c5-3(1-4(6)7)2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281347 (2-(Phosphonomethyl-amino)-propionic acid | CHEMBL9...) Show SMILES CC(NCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C4H10NO5P/c1-3(4(6)7)5-2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281354 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...) Show SMILES CN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.50E+5	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281352 ((Hydroxyphosphinoylmethyl-amino)-acetic acid | CHE...) Show SMILES OP(O)C=NCC(O)=O |w:4.4| Show InChI InChI=1S/C3H6NO4P/c5-3(6)1-4-2-9(7)8/h2,7-8H,1H2,(H,5,6)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	500	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O 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 (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	0.160	n/a	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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281348 ((N-Phosphonomethyl-hydrazino)-acetic acid | CHEMBL...) Show SMILES NN(CC(O)=O)CP(O)(O)=O Show InChI InChI=1S/C3H9N2O5P/c4-5(1-3(6)7)2-11(8,9)10/h1-2,4H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	3.20E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the rate of association 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
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50281349 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...) Show SMILES OC(=O)CNCP(O)(O)=O 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)