Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'trantolo' and Initial = 'dj'   

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
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022163 (6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione | CHEM...) Show SMILES O=c1cc(Nc2ccc3CCCc3c2)[nH]c(=O)[nH]1 Show InChI InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022167 (2-Amino-6-(indan-5-ylamino)-3H-pyrimidin-4-one | C...) Show SMILES Nc1nc(Nc2ccc3CCCc3c2)cc(=O)[nH]1 Show InChI InChI=1S/C13H14N4O/c14-13-16-11(7-12(18)17-13)15-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H4,14,15,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dATP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022154 (6-Benzylamino-1H-pyrimidine-2,4-dione | CHEMBL8648...) Show SMILES O=c1cc(NCc2ccccc2)[nH]c(=O)[nH]1 Show InChI InChI=1S/C11H11N3O2/c15-10-6-9(13-11(16)14-10)12-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022146 (6-Benzylamino-5-bromo-1H-pyrimidine-2,4-dione | CH...) Show SMILES Brc1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H10BrN3O2/c12-8-9(14-11(17)15-10(8)16)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022155 (6-Benzylamino-5-iodo-1H-pyrimidine-2,4-dione | CHE...) Show SMILES Ic1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H10IN3O2/c12-8-9(14-11(17)15-10(8)16)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022142 (5-Bromo-6-p-tolylamino-1H-pyrimidine-2,4-dione | C...) Show SMILES Cc1ccc(Nc2[nH]c(=O)[nH]c(=O)c2Br)cc1 Show InChI InChI=1S/C11H10BrN3O2/c1-6-2-4-7(5-3-6)13-9-8(12)10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022161 (6-p-Tolylamino-1H-pyrimidine-2,4-dione | CHEMBL573...) Show SMILES Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1 Show InChI InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dATP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022150 (CHEMBL158113 | N*4*-Benzyl-6-chloro-pyrimidine-2,4...) Show SMILES Nc1nc(Cl)cc(NCc2ccccc2)n1 Show InChI InChI=1S/C11H11ClN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Bacillus subtilis DNA topoisomerase III using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022149 (6-Benzylamino-1H-[1,3,5]triazine-2,4-dione | CHEMB...) Show SMILES O=c1nc(NCc2ccccc2)[nH]c(=O)[nH]1 Show InChI InChI=1S/C10H10N4O2/c15-9-12-8(13-10(16)14-9)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,12,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022168 (2-Amino-6-benzylamino-3H-pyrimidin-4-one | CHEMBL3...) Show SMILES Nc1nc(NCc2ccccc2)cc(=O)[nH]1 Show InChI InChI=1S/C11H12N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dATP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022148 (6-p-Tolylamino-1H-[1,3,5]triazine-2,4-dione | CHEM...) Show SMILES Cc1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1 Show InChI InChI=1S/C10H10N4O2/c1-6-2-4-7(5-3-6)11-8-12-9(15)14-10(16)13-8/h2-5H,1H3,(H3,11,12,13,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022138 (6-Benzylamino-5-methyl-1H-pyrimidine-2,4-dione | C...) Show SMILES Cc1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C12H13N3O2/c1-8-10(14-12(17)15-11(8)16)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,13,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dCTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022160 (5-Methyl-6-p-tolylamino-1H-pyrimidine-2,4-dione | ...) Show SMILES Cc1ccc(Nc2[nH]c(=O)[nH]c(=O)c2C)cc1 Show InChI InChI=1S/C12H13N3O2/c1-7-3-5-9(6-4-7)13-10-8(2)11(16)15-12(17)14-10/h3-6H,1-2H3,(H3,13,14,15,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.58E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair
DNA topoisomerase 3 (Bacillus subtilis)	BDBM50022145 (6-Benzylamino-5-ethyl-1H-pyrimidine-2,4-dione | CH...) Show SMILES CCc1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C13H15N3O2/c1-2-10-11(15-13(18)16-12(10)17)14-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,14,15,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay				J Med Chem 29: 676-81 (1986) BindingDB Entry DOI: 10.7270/Q2MP528D
					More data for this Ligand-Target Pair