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Compile Data Set for Download or QSAR

Found 220 hits of ic50 data for polymerid = 2043   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122764
PNG
(2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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n/an/a 1.90n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122764
PNG
(2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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n/an/a 19n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122764
PNG
(2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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n/an/a 19n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 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


(Homo sapiens (Human))
BDBM50121753
PNG
(1-(5-Chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin...)
Show SMILES NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1 |c:1|
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)/p+1
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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122764
PNG
(2-Amino-1-(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-py...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H8BrN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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n/an/a 20n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Eur J Med Chem 43: 1248-60 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50274904
PNG
(CHEMBL4129617)
Show SMILES Br.Clc1c(CN2CCNC2=N)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-3H2,(H2,10,11)(H2,12,13,15,16)
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n/an/a 20n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin)


Bioorg Med Chem 26: 3654-3663 (2018)


Article DOI: 10.1016/j.bmc.2018.05.046
BindingDB Entry DOI: 10.7270/Q22V2JKV
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122771
PNG
(2-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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n/an/a 21n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 23n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 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
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 30n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of human placenta thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting method


Bioorg Med Chem 26: 3654-3663 (2018)


Article DOI: 10.1016/j.bmc.2018.05.046
BindingDB Entry DOI: 10.7270/Q22V2JKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



AIMST University

Curated by ChEMBL


Assay Description
Inhibition of human placenta thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting method


Eur J Med Chem 124: 992-1003 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.032
BindingDB Entry DOI: 10.7270/Q2RR218S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50121753
PNG
(1-(5-Chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin...)
Show SMILES NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1 |c:1|
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)/p+1
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n/an/a 35n/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human thymidine phosphorylase TP


Bioorg Med Chem Lett 13: 107-10 (2002)


BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase


Eur J Med Chem 65: 1-11 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.063
BindingDB Entry DOI: 10.7270/Q2125V2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Competitive inhibition of human thymidine phosphorylase in presence of thymidine


Eur J Med Chem 70: 400-10 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.022
BindingDB Entry DOI: 10.7270/Q2CZ38NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase by [3H]thymidine incorporation assay


Eur J Med Chem 43: 1248-60 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.015
BindingDB Entry DOI: 10.7270/Q2Z31ZDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin)


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 35n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of human placental thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50531739
PNG
(MA-1 | TPI (freebase) | Tipiracil)
Show SMILES Oc1nc(O)c(Cl)c(CN2CCCC2=N)n1
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)
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n/an/a 35n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin)


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50122771
PNG
(2-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-p...)
Show SMILES Nc1[nH+]ccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)/p+1
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PubMed
n/an/a 49n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 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


(Homo sapiens (Human))
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
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n/an/a 100n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 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


(Homo sapiens (Human))
BDBM50531732
PNG
(CHEMBL4455140)
Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
Show InChI InChI=1S/C8H12IN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)
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n/an/a 120n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50464651
PNG
(CHEMBL4293861)
Show SMILES Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl2N3O3/c1-6-4-10(18)15-12(19)17(6)11(16-20)7-2-3-8(13)9(14)5-7/h2-5,20H,1H3,(H,15,18,19)/b16-11-
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n/an/a 120n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50443422
PNG
(CHEMBL3087264)
Show SMILES NC(=N)SCc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C6H7ClN4O2S/c7-3-2(1-14-5(8)9)10-6(13)11-4(3)12/h1H2,(H3,8,9)(H2,10,11,12,13)
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n/an/a 350n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human thymidine phosphorylase


Eur J Med Chem 70: 400-10 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.022
BindingDB Entry DOI: 10.7270/Q2CZ38NN
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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
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n/an/a 560n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50531729
PNG
(CHEMBL4469338)
Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Cl
Show InChI InChI=1S/C8H12ClN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50531734
PNG
(CHEMBL4468378)
Show SMILES OCCNCc1[nH]c(=O)[nH]c(=O)c1I
Show InChI InChI=1S/C7H10IN3O3/c8-5-4(3-9-1-2-12)10-7(14)11-6(5)13/h9,12H,1-3H2,(H2,10,11,13,14)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50464648
PNG
(CHEMBL4291353)
Show SMILES Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O3/c1-7-6-10(17)14-12(18)16(7)11(15-19)8-2-4-9(13)5-3-8/h2-6,19H,1H3,(H,14,17,18)/b15-11-
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n/an/a 1.40E+3n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against recombinant purified E. coli Thymidine Phosphorylase


J Med Chem 46: 207-9 (2003)


Article DOI: 10.1021/jm020964w
BindingDB Entry DOI: 10.7270/Q24X574R
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50194179
PNG
(1-(cyclopropyl)methyl-5'-O-tritylinosine | CHEMBL3...)
Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CC1)c2=O
Show InChI InChI=1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2/t26-,28-,29-,32-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of human TPase in presence of 100 uM thymidine


J Med Chem 49: 5562-70 (2006)


Article DOI: 10.1021/jm0605379
BindingDB Entry DOI: 10.7270/Q2WD4061
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50464643
PNG
(CHEMBL4290057)
Show SMILES Cc1cc(=O)[nH]c(=O)n1\C(=N/O)c1ccc(Br)cc1
Show InChI InChI=1S/C12H10BrN3O3/c1-7-6-10(17)14-12(18)16(7)11(15-19)8-2-4-9(13)5-3-8/h2-6,19H,1H3,(H,14,17,18)/b15-11-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50439105
PNG
(CHEMBL2418061)
Show SMILES Clc1ccc(Cc2nc3[nH]c(=S)[nH]c(=O)n3n2)cc1Cl
Show InChI InChI=1S/C11H7Cl2N5OS/c12-6-2-1-5(3-7(6)13)4-8-14-9-15-10(20)16-11(19)18(9)17-8/h1-3H,4H2,(H2,14,15,16,17,19,20)
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n/an/a 2.95E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate after 4 to 20 mins by spectrophoto...


Eur J Med Chem 67: 325-34 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.051
BindingDB Entry DOI: 10.7270/Q2QR4ZJ0
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 3.40E+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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50464649
PNG
(CHEMBL4278709)
Show SMILES CCc1ccc(cc1)C(=N\O)\n1c(C)cc(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O3/c1-3-10-4-6-11(7-5-10)13(16-20)17-9(2)8-12(18)15-14(17)19/h4-8,20H,3H2,1-2H3,(H,15,18,19)/b16-13-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis


Eur J Med Chem 144: 41-51 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.016
BindingDB Entry DOI: 10.7270/Q24M9762
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 3.80E+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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50004462
PNG
(CHEMBL3233329)
Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6OS2/c15-14(16,17)7-3-1-6(2-4-7)5-8-9(19-11(18)25)22-23-10(8)20-12(26)21-13(23)24/h1-4H,5H2,(H3,18,19,22,25)(H2,20,21,24,26)
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n/an/a 3.82E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mi...


Eur J Med Chem 78: 294-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.063
BindingDB Entry DOI: 10.7270/Q2SF2XP4
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50004457
PNG
(CHEMBL3233340)
Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1cccc2ccccc12
Show InChI InChI=1S/C17H14N6OS2/c18-15(25)19-13-12(14-20-16(26)21-17(24)23(14)22-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H3,18,19,22,25)(H2,20,21,24,26)
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n/an/a 4.29E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mi...


Eur J Med Chem 78: 294-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.063
BindingDB Entry DOI: 10.7270/Q2SF2XP4
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50194181
PNG
(1-(cyclohexyl)methyl-5'-O-tritylinosine | CHEMBL21...)
Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC1CCCCC1)c2=O
Show InChI InChI=1S/C36H38N4O5/c41-31-29(22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28)45-35(32(31)42)40-24-37-30-33(40)38-23-39(34(30)43)21-25-13-5-1-6-14-25/h2-4,7-12,15-20,23-25,29,31-32,35,41-42H,1,5-6,13-14,21-22H2/t29-,31-,32-,35-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of human TPase in presence of 100 uM thymidine


J Med Chem 49: 5562-70 (2006)


Article DOI: 10.1021/jm0605379
BindingDB Entry DOI: 10.7270/Q2WD4061
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50004456
PNG
(CHEMBL3233339)
Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N6O2S2/c20-17(28)21-15-14(16-22-18(29)23-19(26)25(16)24-15)10-11-6-8-13(9-7-11)27-12-4-2-1-3-5-12/h1-9H,10H2,(H3,20,21,24,28)(H2,22,23,26,29)
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n/an/a 4.46E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mi...


Eur J Med Chem 78: 294-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.063
BindingDB Entry DOI: 10.7270/Q2SF2XP4
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50194173
PNG
(5'-O-[(4-chlorophenyl)-1,1-(diphenyl)methyl]inosin...)
Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C29H25ClN4O5/c30-21-13-11-20(12-14-21)29(18-7-3-1-4-8-18,19-9-5-2-6-10-19)38-15-22-24(35)25(36)28(39-22)34-17-33-23-26(34)31-16-32-27(23)37/h1-14,16-17,22,24-25,28,35-36H,15H2,(H,31,32,37)/t22-,24-,25-,28-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of human TPase in presence of 100 uM thymidine


J Med Chem 49: 5562-70 (2006)


Article DOI: 10.1021/jm0605379
BindingDB Entry DOI: 10.7270/Q2WD4061
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 5.00E+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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 5.10E+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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 5.20E+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...


Bioorg Med Chem Lett 16: 1335-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.050
BindingDB Entry DOI: 10.7270/Q2QR4VCH
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50531742
PNG
(CHEMBL4579188)
Show SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C8H12BrN3O4/c9-6-5(1-10-4(2-13)3-14)11-8(16)12-7(6)15/h4,10,13-14H,1-3H2,(H2,11,12,15,16)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universidade Federal do Pampa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...


J Med Chem 62: 1231-1245 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01305
BindingDB Entry DOI: 10.7270/Q2FT8QHC
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
BDBM50004455
PNG
(CHEMBL3233338)
Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H16N6OS2/c20-17(27)21-15-14(16-22-18(28)23-19(26)25(16)24-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H3,20,21,24,27)(H2,22,23,26,28)
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n/an/a 6.11E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mi...


Eur J Med Chem 78: 294-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.063
BindingDB Entry DOI: 10.7270/Q2SF2XP4
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against human thymidine phosphorylase


Bioorg Med Chem Lett 13: 3705-9 (2003)


BindingDB Entry DOI: 10.7270/Q2SQ90ZZ
More data for this
Ligand-Target Pair
Thymidine phosphorylase


(Homo sapiens (Human))
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)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 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
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