Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'gragg' and Initial = 'ce'   

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
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50148790 ((2R,3R)-2,3-Dihydroxy-4-phosphonooxy-butyric acid ...) Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)C([O-])=O Show InChI InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-1/t2-,3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50322321 (5-phospho-D-ribonate | CHEMBL1173785) Show SMILES O[C@@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(O)=O |r| Show InChI InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50322321 (5-phospho-D-ribonate | CHEMBL1173785) Show SMILES O[C@@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(O)=O |r| Show InChI InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405130 (CHEMBL1161476) Show SMILES OCC(O)C(O)C(O)COP(O)(O)=O Show InChI InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	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 Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405144 (CHEMBL1161485) Show SMILES OC(COP(O)(O)=O)C(O)C(F)C(O)=O Show InChI InChI=1S/C5H10FO8P/c6-3(5(9)10)4(8)2(7)1-14-15(11,12)13/h2-4,7-8H,1H2,(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405140 (CHEMBL1161474) Show SMILES OCC(F)C(O)C(O)COP(O)(O)=O Show InChI InChI=1S/C5H12FO7P/c6-3(1-7)5(9)4(8)2-13-14(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405132 (CHEMBL610425) Show SMILES CS(=O)(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H10O7S/c1-14(10,11)12-2-3-4(7)5(8)6(9)13-3/h3-5,7-8H,2H2,1H3/t3-,4-,5-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405138 (CHEMBL608356) Show SMILES Nc1ccc(cc1)S(=O)(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H13NO7S/c12-6-1-3-7(4-2-6)20(16,17)18-5-8-9(13)10(14)11(15)19-8/h1-4,8-10,13-14H,5,12H2/t8-,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405129 (CHEMBL1161478) Show SMILES ONCC(O)C(O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C5H12NO8P/c7-3(1-6-10)5(9)4(8)2-14-15(11,12)13/h3,5-7,9-10H,1-2H2,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405143 (CHEMBL607913) Show SMILES NS(=O)(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11NO7S/c6-14(10,11)12-1-2-3(7)4(8)5(9)13-2/h2-5,7-9H,1H2,(H2,6,10,11)/t2-,3-,4+,5+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.92E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405145 (CHEMBL608478) Show SMILES O[C@H]1O[C@H](COC(=O)NS([O-])(=O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H11NO9S/c8-3-2(16-5(10)4(3)9)1-15-6(11)7-17(12,13)14/h2-5,8-10H,1H2,(H,7,11)(H,12,13,14)/p-1/t2-,3-,4+,5+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.92E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405130 (CHEMBL1161476) Show SMILES OCC(O)C(O)C(O)COP(O)(O)=O Show InChI InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405133 (CHEMBL608474) Show SMILES CC(=O)CC(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C9H12O7/c1-4(10)2-6(11)15-3-5-7(12)8(13)9(14)16-5/h5,7-8,12-13H,2-3H2,1H3/t5-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.69E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405135 (CHEMBL610147) Show SMILES O[C@H]1[C@@H](O)C(=O)O[C@@H]1COS([O-])(=O)=O |r| Show InChI InChI=1S/C5H8O8S/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-4,6-7H,1H2,(H,9,10,11)/p-1/t2-,3-,4-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	3.59E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405136 (CHEMBL1161467) Show SMILES OC1OC(COP(O)(O)=O)C(F)C1O Show InChI InChI=1S/C5H10FO7P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-5,7-8H,1H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.13E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405142 (CHEMBL1161484) Show SMILES OC(COP(O)(O)=O)C(F)C(O)C(O)=O Show InChI InChI=1S/C5H10FO8P/c6-3(4(8)5(9)10)2(7)1-14-15(11,12)13/h2-4,7-8H,1H2,(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.20E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405131 (CHEMBL1161479) Show SMILES OC1CC(COP(O)(O)=O)OC1O Show InChI InChI=1S/C5H11O7P/c6-4-1-3(12-5(4)7)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.67E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405137 (CHEMBL608476) Show SMILES O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405139 (CHEMBL1161482) Show SMILES OCC(O)C(O)C(O)CCP(O)(O)=O Show InChI InChI=1S/C6H15O7P/c7-3-5(9)6(10)4(8)1-2-14(11,12)13/h4-10H,1-3H2,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.67E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405134 (CHEMBL1161470) Show SMILES COC1OC(COP(O)(O)=O)C(F)C1O Show InChI InChI=1S/C6H12FO7P/c1-12-6-5(8)4(7)3(14-6)2-13-15(9,10)11/h3-6,8H,2H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.13E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405128 (CHEMBL1161473) Show SMILES OCC(O)C(F)C(O)COP(O)(O)=O Show InChI InChI=1S/C5H12FO7P/c6-5(3(8)1-7)4(9)2-13-14(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair
Arabinose 5-phosphate isomerase KdsD (Salmonella typhimurium)	BDBM50405141 (CHEMBL1161481) Show SMILES OCC(O)C(OCc1ccccc1)C(O)COP(O)(O)=O Show InChI InChI=1S/C12H19O8P/c13-6-10(14)12(11(15)8-20-21(16,17)18)19-7-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.33E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Arabinose-5-phosphate isomerase				J Med Chem 27: 717-26 (1984) BindingDB Entry DOI: 10.7270/Q29S1S6X
					More data for this Ligand-Target Pair