Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Glucosamine-6- Phosphate Synthase'   

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
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85322 (GlcN-6-P synthase inhibitor, 15 (racemic mixture)) Show SMILES CCN(CC)S(=O)(=O)CCC(N)C(=O)OC Show InChI InChI=1S/C9H20N2O4S/c1-4-11(5-2)16(13,14)7-6-8(10)9(12)15-3/h8H,4-7,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		6.00E+5	n/a	1.60E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85312 (GlcN-6-P synthase inhibitor, 5 (racemic mixture)) Show SMILES COP(O)(=O)CCC(N)C(O)=O Show InChI InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars		9.00E+5	n/a	2.00E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85316 (GlcN-6-P synthase inhibitor, 9 (racemic mixture)) Show SMILES CCN(CC)P(=O)(CCC(N)C(=O)OC)OC Show InChI InChI=1S/C10H23N2O4P/c1-5-12(6-2)17(14,16-4)8-7-9(11)10(13)15-3/h9H,5-8,11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		9.40E+5	n/a	3.60E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85311 (GlcN-6-P synthase inhibitor, 4 (racemic mixture)) Show SMILES COC(=O)C(N)CCP(O)(=O)OC Show InChI InChI=1S/C6H14NO5P/c1-11-6(8)5(7)3-4-13(9,10)12-2/h5H,3-4,7H2,1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.20E+6	n/a	2.60E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85315 (GlcN-6-P synthase inhibitor, 8 (racemic mixture)) Show SMILES COC(=O)C(N)CCP(=O)(OC)N(C)C Show InChI InChI=1S/C8H19N2O4P/c1-10(2)15(12,14-4)6-5-7(9)8(11)13-3/h7H,5-6,9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.30E+6	n/a	4.40E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85320 (GlcN-6-P synthase inhibitor, 13 (racemic mixture)) Show SMILES COC(=O)C(N)CCS(C)(=N)=O Show InChI InChI=1S/C6H15N2O3S/c1-11-6(9)5(7)3-4-12(2,8)10/h5H,3-4,7H2,1-2H3,(H2,8,10)/q-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		1.50E+6	n/a	2.80E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85321 (GlcN-6-P synthase inhibitor, 14 (racemic mixture)) Show SMILES COC(=O)C(N)CCS(N)(=O)=O Show InChI InChI=1S/C5H12N2O4S/c1-11-5(8)4(6)2-3-12(7,9)10/h4H,2-3,6H2,1H3,(H2,7,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem		2.80E+6	n/a	5.50E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85314 (GlcN-6-P synthase inhibitor, 7 (racemic mixture)) Show SMILES CCNP(=O)(CCC(N)C(=O)OC)OC Show InChI InChI=1S/C8H19N2O4P/c1-4-10-15(12,14-3)6-5-7(9)8(11)13-2/h7H,4-6,9H2,1-3H3,(H,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		4.40E+6	n/a	7.80E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85313 (GlcN-6-P synthase inhibitor, 6 (racemic mixture)) Show SMILES COC(=O)C(N)CCP(N)(=O)OC Show InChI InChI=1S/C6H15N2O4P/c1-11-6(9)5(7)3-4-13(8,10)12-2/h5H,3-4,7H2,1-2H3,(H2,8,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		1.10E+7	n/a	2.50E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM50004051 (2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...) Show SMILES NC(CCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		1.20E+7	n/a	2.60E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85310 (GlcN-6-P synthase inhibitor, 3 (racemic mixture)) Show SMILES COP(=O)(CCC(N)C(O)=O)OC Show InChI InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85317 (GlcN-6-P synthase inhibitor, 10 (racemic mixture)) Show SMILES COC(=O)C(N)CC[S-](=O)=O Show InChI InChI=1S/C5H10NO4S/c1-10-5(7)4(6)2-3-11(8)9/h4H,2-3,6H2,1H3/q-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85318 (GlcN-6-P synthase inhibitor, 11 (racemic mixture)) Show SMILES COC(=O)C(N)CCS(C)(=O)=O Show InChI InChI=1S/C6H13NO4S/c1-11-6(8)5(7)3-4-12(2,9)10/h5H,3-4,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars		n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85319 (GlcN-6-P synthase inhibitor, 12 (racemic mixture)) Show SMILES COC(=O)C(N)CNS(C)(=O)=O Show InChI InChI=1S/C5H12N2O4S/c1-11-5(8)4(6)3-7-12(2,9)10/h4,7H,3,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair
Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Candida albicans)	BDBM85309 (GlcN-6-P synthase inhibitor, 2 (racemic mixture)) Show SMILES COC(=O)C(N)CCP(=O)(OC)OC Show InChI InChI=1S/C7H16NO5P/c1-11-7(9)6(8)4-5-14(10,12-2)13-3/h6H,4-5,8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars		n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair