BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Thymidine phosphorylase (TP)' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122770
PNG
(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

AffyNet 
Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20079
PNG
(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20079
PNG
(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122768
PNG
(2-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-...)
Show SMILES Nc1[nH+]ccn1Cc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C8H9N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h1-3H,4H2,(H2,9,10)(H2,11,12,14,15)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122770
PNG
(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

AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122770
PNG
(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

AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20033
PNG
(6-(azetidin-1-yl)-5-bromo-1,3-diazinane-2,4-dione ...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCC1
Show InChI InChI=1S/C7H8BrN3O2/c8-4-5(11-2-1-3-11)9-7(13)10-6(4)12/h1-3H2,(H2,9,10,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.00E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20051
PNG
(5-bromo-6-[4-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C12H12Br2N6O4/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122765
PNG
(6-(2-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-...)
Show SMILES [O-][N+](=O)c1nccn1Cc1cc(=[OH+])[n-]c(=[OH+])[n-]1
Show InChI InChI=1S/C8H7N5O4/c14-6-3-5(10-7(15)11-6)4-12-2-1-9-8(12)13(16)17/h1-3H,4H2,(H2,10,11,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20052
PNG
(5-bromo-6-({2-[(5-bromo-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Brc1c(NCCNc2[nH]c(=O)[nH]c(=O)c2Br)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C10H10Br2N6O4/c11-3-5(15-9(21)17-7(3)19)13-1-2-14-6-4(12)8(20)18-10(22)16-6/h1-2H2,(H3,13,15,17,19,21)(H3,14,16,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20036
PNG
(5-bromo-6-(cyclopropylamino)-1,3-diazinane-2,4-dio...)
Show SMILES Brc1c(NC2CC2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8BrN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20030
PNG
(6-amino-5-chloro-1,3-diazinane-2,4-dione | 6-amino...)
Show SMILES Nc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C4H4ClN3O2/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
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20047
PNG
(5-chloro-6-[2-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.30E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20034
PNG
(5-bromo-6-hydrazinyl-1,3-diazinane-2,4-dione | ura...)
Show SMILES NNc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C4H5BrN4O2/c5-1-2(9-6)7-4(11)8-3(1)10/h6H2,(H3,7,8,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.30E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20042
PNG
(5-chloro-6-(pyrrolidin-1-yl)-1,3-diazinane-2,4-dio...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Show InChI InChI=1S/C8H10ClN3O2/c9-5-6(12-3-1-2-4-12)10-8(14)11-7(5)13/h1-4H2,(H2,10,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.40E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20032
PNG
(5-bromo-6-(pyrrolidin-1-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCCC1
Show InChI InChI=1S/C8H10BrN3O2/c9-5-6(12-3-1-2-4-12)10-8(14)11-7(5)13/h1-4H2,(H2,10,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.30E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20048
PNG
(5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.40E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20050
PNG
(5-chloro-6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,3-...)
Show SMILES OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C11H16ClN3O3/c12-8-9(13-11(18)14-10(8)17)15-4-1-7(2-5-15)3-6-16/h7,16H,1-6H2,(H2,13,14,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20039
PNG
(5-bromo-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-6(5-15)2-4-14/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20040
PNG
(5-bromo-6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C11H16BrN3O3/c12-8-9(13-11(18)14-10(8)17)15-4-1-7(2-5-15)3-6-16/h7,16H,1-6H2,(H2,13,14,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.10E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20038
PNG
(5-bromo-6-[3-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-2-6(4-14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159217
PNG
(4-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Br)c[nH]1
Show InChI InChI=1S/C8H8BrN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20037
PNG
(5-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]-1,3-di...)
Show SMILES OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H14BrN3O3/c11-7-8(12-10(17)13-9(7)16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50134399
PNG
(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

AffyNet 
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Thymidine phosphorylase from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159222
PNG
(5-Bromo-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimid...)
Show SMILES [O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Br)cn1
Show InChI InChI=1S/C8H6BrN5O4/c9-6-4(11-8(16)12-7(6)15)1-13-2-5(10-3-13)14(17)18/h2-3H,1H2,(H2,11,12,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159219
PNG
(5-Chloro-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimi...)
Show SMILES [O-][N+](=O)c1cn(Cc2[n-]c(=[OH+])[nH]c(=O)c2Cl)cn1
Show InChI InChI=1S/C8H6ClN5O4/c9-6-4(11-8(16)12-7(6)15)1-13-2-5(10-3-13)14(17)18/h2-3H,1H2,(H2,11,12,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20041
PNG
(5-chloro-6-(piperidin-1-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Show InChI InChI=1S/C9H12ClN3O2/c10-6-7(11-9(15)12-8(6)14)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.30E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159220
PNG
(4-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1c[n+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)c[nH]1
Show InChI InChI=1S/C8H8ClN5O2/c9-6-4(12-8(16)13-7(6)15)1-14-2-5(10)11-3-14/h2-3H,1,10H2,(H2,12,13,15,16)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20049
PNG
(5-chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3-d...)
Show SMILES OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H14ClN3O3/c11-7-8(12-10(17)13-9(7)16)14-3-1-6(5-15)2-4-14/h6,15H,1-5H2,(H2,12,13,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.50E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20053
PNG
(5-chloro-6-[4-(5-chloro-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C12H12Cl2N6O4/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 8.70E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20044
PNG
(5-chloro-6-hydrazinyl-1,3-diazinane-2,4-dione | ur...)
Show SMILES NNc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C4H5ClN4O2/c5-1-2(9-6)7-4(11)8-3(1)10/h6H2,(H3,7,8,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 9.10E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20031
PNG
(5-bromo-6-(piperidin-1-yl)-1,3-diazinane-2,4-dione...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
Show InChI InChI=1S/C9H12BrN3O2/c10-6-7(11-9(15)12-8(6)14)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.10E+3n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20046
PNG
(5-chloro-6-(cyclopropylamino)-1,3-diazinane-2,4-di...)
Show SMILES Clc1c(NC2CC2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8ClN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.01E+4n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20045
PNG
(5-chloro-6-(morpholin-4-yl)-1,3-diazinane-2,4-dion...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C8H10ClN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.04E+4n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20035
PNG
(5-bromo-6-(morpholin-4-yl)-1,3-diazinane-2,4-dione...)
Show SMILES Brc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C8H10BrN3O3/c9-5-6(10-8(14)11-7(5)13)12-1-3-15-4-2-12/h1-4H2,(H2,10,11,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.16E+4n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159218
PNG
(6-(4-Nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-...)
Show SMILES [O-][N+](=O)c1cn(Cc2cc(=[OH+])[n-]c(=[OH+])[n-]2)cn1
Show InChI InChI=1S/C8H7N5O4/c14-7-1-5(10-8(15)11-7)2-12-3-6(9-4-12)13(16)17/h1,3-4H,2H2,(H2,10,11,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM20043
PNG
(6-(azetidin-1-yl)-5-chloro-1,3-diazinane-2,4-dione...)
Show SMILES Clc1c([nH]c(=O)[nH]c1=O)N1CCC1
Show InChI InChI=1S/C7H8ClN3O2/c8-4-5(11-2-1-3-11)9-7(13)10-6(4)12/h1-3H2,(H2,9,10,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+4n/an/an/an/a6.437



Academy of Sciences of the Czech Republic



Assay Description
The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122767
PNG
(5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimi...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H6ClN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.17E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50122766
PNG
(5-Bromo-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimid...)
Show SMILES [O-][N+](=O)c1nccn1Cc1[n-]c(=[OH+])[nH]c(=O)c1Br
Show InChI InChI=1S/C8H6BrN5O4/c9-5-4(11-7(16)12-6(5)15)3-13-2-1-10-8(13)14(17)18/h1-2H,3H2,(H2,11,12,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.44E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50134399
PNG
(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

AffyNet 
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Escherichia coli)
BDBM50159221
PNG
(4-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-...)
Show SMILES Nc1c[n+](Cc2cc(=O)[nH]c(=O)[nH]2)c[nH]1
Show InChI InChI=1S/C8H9N5O2/c9-6-3-13(4-10-6)2-5-1-7(14)12-8(15)11-5/h1,3-4H,2,9H2,(H2,11,12,14,15)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against thymidine phosphorylase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair