Compile Data Set for Download or QSAR
Found 16 Enz. Inhib. hit(s) with all data for entry = 50004519
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM20079(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)
Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)
Affinity DataIC50: 36nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483646(CHEMBL1762078)
Show SMILES NC(=O)CCN1C(=O)N(CCc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H15N3O4/c15-11(18)7-9-17-13(20)12(19)16(14(17)21)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,15,18)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483642(CHEMBL1762077)
Show SMILES NC(=O)CCN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C1=O
Show InChI InChI=1S/C13H12ClN3O4/c14-9-3-1-2-8(6-9)7-17-12(20)11(19)16(13(17)21)5-4-10(15)18/h1-3,6H,4-5,7H2,(H2,15,18)
Affinity DataIC50: 6.60E+4nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483645(CHEMBL56506)
Show SMILES OC(=O)CN1C(=O)N(CCc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C13H12N2O5/c16-10(17)8-15-12(19)11(18)14(13(15)20)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483640(CHEMBL1762076)
Show SMILES Cc1ccccc1CN1C(=O)N(CCC(N)=O)C(=O)C1=O
Show InChI InChI=1S/C14H15N3O4/c1-9-4-2-3-5-10(9)8-17-13(20)12(19)16(14(17)21)7-6-11(15)18/h2-5H,6-8H2,1H3,(H2,15,18)
Affinity DataIC50: 8.80E+4nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483636(CHEBI:87273 | CHEMBL1762070)
Show SMILES O=C1NC(=O)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C11H10N2O3/c14-9-10(15)13(11(16)12-9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16)
Affinity DataIC50: 1.03E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483648(CHEMBL1762075)
Show SMILES NC(=O)CCN1C(=O)N(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C13H13N3O4/c14-10(17)6-7-15-11(18)12(19)16(13(15)20)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,14,17)
Affinity DataIC50: 1.06E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483643(CHEMBL1360967)
Show SMILES O=C1NC(=O)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-8-9(14)12(10(15)11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
Affinity DataIC50: 1.15E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483635(CHEMBL1762069)
Show SMILES Clc1cccc(CN2C(=O)NC(=O)C2=O)c1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-2-6(4-7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
Affinity DataIC50: 1.17E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483634(CHEMBL1762068)
Show SMILES Cc1ccccc1CN1C(=O)NC(=O)C1=O
Show InChI InChI=1S/C11H10N2O3/c1-7-4-2-3-5-8(7)6-13-10(15)9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
Affinity DataIC50: 1.28E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483641(CHEMBL293088)
Show SMILES Cc1ccccc1CN1C(=O)N(CC(O)=O)C(=O)C1=O
Show InChI InChI=1S/C13H12N2O5/c1-8-4-2-3-5-9(8)6-14-11(18)12(19)15(13(14)20)7-10(16)17/h2-5H,6-7H2,1H3,(H,16,17)
Affinity DataIC50: 2.36E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483639(CHEMBL292639)
Show SMILES OC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C12H10N2O5/c15-9(16)7-14-11(18)10(17)13(12(14)19)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
Affinity DataIC50: 2.64E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483637(CHEMBL1762073)
Show SMILES CCOC(=O)CN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C1=O
Show InChI InChI=1S/C14H13ClN2O5/c1-2-22-11(18)8-17-13(20)12(19)16(14(17)21)7-9-4-3-5-10(15)6-9/h3-6H,2,7-8H2,1H3
Affinity DataIC50: 2.92E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483647(CHEMBL1762072)
Show SMILES CCOC(=O)CN1C(=O)N(Cc2ccccc2C)C(=O)C1=O
Show InChI InChI=1S/C15H16N2O5/c1-3-22-12(18)9-17-14(20)13(19)16(15(17)21)8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
Affinity DataIC50: 3.03E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483644(CHEMBL1762071)
Show SMILES CCOC(=O)CN1C(=O)N(Cc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C14H14N2O5/c1-2-21-11(17)9-16-13(19)12(18)15(14(16)20)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
Affinity DataIC50: 3.42E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidine phosphorylase(Escherichia coli)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50483638(CHEMBL1762074)
Show SMILES CCOC(=O)CN1C(=O)N(CCc2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C15H16N2O5/c1-2-22-12(18)10-17-14(20)13(19)16(15(17)21)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
Affinity DataIC50: 3.57E+5nMAssay Description:Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid