Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: P07650   

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
Thymidine phosphorylase (Escherichia coli)	BDBM50122770 (6-Amino-5-bromo-1H-pyrimidine-2,4-dione | 6-Amino-...) Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1Br Show InChI InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli thymidine phosphorylase				J Med Chem 48: 392-402 (2005) Article DOI: 10.1021/jm049494r BindingDB Entry DOI: 10.7270/Q2445N8K
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222044 (5'-O-(4''-Bromobenzoyl)-thymidine-3...) Show SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](COC(=O)c3ccc(Br)cc3)O2)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.81E+3	-7.08	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222045 (5'-O-(3''-Bromobenzoyl)-thymidine (15)) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3cccc(Br)c3)O2)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+4	-6.85	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222040 (5'-O-(4''-Methylbenzoyl)-thymidine (4)) Show SMILES Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+4	-6.80	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM222041 (5'-O-(4''-Methoxybenzoyl)-thymidine (1...) Show SMILES COc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.28E+4	-6.78	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM50134399 (1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7...) Show SMILES O=c1[nH]c2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.91E+4	-5.97	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5¿0.001 mM) for 10 min at 30 C. The rea...				Bioorg Chem 70: 44-56 (2017) Article DOI: 10.1016/j.bioorg.2016.11.007 BindingDB Entry DOI: 10.7270/Q2H70DPM
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM50485112 (CHEMBL2030733) Show SMILES Oc1nc(O)c2ccn(CCCCCCCCP(O)(O)=O)c2n1 Show InChI InChI=1S/C14H22N3O5P/c18-13-11-7-9-17(12(11)15-14(19)16-13)8-5-3-1-2-4-6-10-23(20,21)22/h7,9H,1-6,8,10H2,(H2,20,21,22)(H2,15,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli thymidine phosphorylase incubated for 20 mins at room temperature followed by 5 mins incubation at 90 degC...				J Med Chem 55: 2758-68 (2012) Article DOI: 10.1021/jm201694y BindingDB Entry DOI: 10.7270/Q2GT5R1P
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM50485113 (CHEMBL2030728) Show SMILES Cc1cn(Cc2cn(CCCCC(F)(F)P(O)(O)=O)nn2)c(=O)[nH]c1=O Show InChI InChI=1S/C13H18F2N5O5P/c1-9-6-19(12(22)16-11(9)21)7-10-8-20(18-17-10)5-3-2-4-13(14,15)26(23,24)25/h6,8H,2-5,7H2,1H3,(H,16,21,22)(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli thymidine phosphorylase incubated for 20 mins at room temperature followed by 5 mins incubation at 90 degC...				J Med Chem 55: 2758-68 (2012) Article DOI: 10.1021/jm201694y BindingDB Entry DOI: 10.7270/Q2GT5R1P
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Escherichia coli)	BDBM50485111 (CHEMBL368694) Show SMILES Nc1c(Br)c(=O)[nH]c(=O)n1CCCCCCCCP(O)(O)=O Show InChI InChI=1S/C12H21BrN3O5P/c13-9-10(14)16(12(18)15-11(9)17)7-5-3-1-2-4-6-8-22(19,20)21/h1-8,14H2,(H,15,17,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Basse-Normandie Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli thymidine phosphorylase incubated for 20 mins at room temperature followed by 5 mins incubation at 90 degC...				J Med Chem 55: 2758-68 (2012) Article DOI: 10.1021/jm201694y BindingDB Entry DOI: 10.7270/Q2GT5R1P
					More data for this Ligand-Target Pair