Identical Ligands in BindingDB

Found 5 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))	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 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	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))	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)
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)

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