BDBM50281349 CHEMBL95764::N-(phosphonomethyl)glycine::glyphosate

SMILES: OC(=O)CNCP(O)(O)=O

InChI Key: InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-N

Data: 3 KI  2 IC50  3 Kd  1 K_off  2 K_on

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50281349   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
2-dehydro-3-deoxyphosphooctonate aldolase (Neisseria meningitidis serogroup B (strain MC58))	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 GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Competitive inhibition of Neisseria meningitidis serotype B strain MC58 ATCC BAA355 KDO8P synthase expressed in Escherichia coli BL21 (DE3) cells usi...				Bioorg Med Chem Lett 22: 907-11 (2012) Article DOI: 10.1016/j.bmcl.2011.12.025 BindingDB Entry DOI: 10.7270/Q2N87B76
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
Cytochrome P450 71B1 (Thlaspi arvense)	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)	Reactome pathway UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Aberystwyth Curated by ChEMBL					Assay Description Inhibition of Thlaspi arvense CPR-fused CYP71B1 expressed in Escherichia coli DH5alpha assessed as conversion of benzo(a)pyrene to 3-hydroxybenzo(a)p...				Biochem Biophys Res Commun 244: 110-4 (1998) Article DOI: 10.1006/bbrc.1997.7988 BindingDB Entry DOI: 10.7270/Q2F192M9
					More data for this Ligand-Target Pair
5-enolpyruvylshikimate-3-phosphate synthase (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 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)
5-enolpyruvylshikimate-3-phosphate synthase (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 KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	n/a	n/a	n/a	n/a	0.00000100	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)