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Compile Data Set for Download or QSAR

Found 7 hits from Attenuon, L.L.C.   
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 (TP)


(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
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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5n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121756
PNG
((benzylamino)[(2,4-dioxo-1,2,3,4-tetrahydrothieno[...)
Show SMILES NC(NCc1ccccc1)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C14H13N5O2S/c15-13(16-6-8-4-2-1-3-5-8)17-9-7-22-11-10(9)18-14(21)19-12(11)20/h1-5,7H,6H2,(H3,15,16,17)(H2,18,19,20,21)/p+1
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6.43E+4n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121754
PNG
(CHEMBL12488 | amino[(2,4-dioxo-1,2,3,4-tetrahydrot...)
Show SMILES NC(N)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C7H7N5O2S/c8-6(9)10-2-1-15-4-3(2)11-7(14)12-5(4)13/h1H,(H4,8,9,10)(H2,11,12,13,14)/p+1
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7.60E+4n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121757
PNG
(6-Amino-1H-thieno[3,2-d]pyrimidine-2,4-dione | CHE...)
Show SMILES Nc1cc2[nH]c(=O)[nH]c(=O)c2s1
Show InChI InChI=1S/C6H5N3O2S/c7-3-1-2-4(12-3)5(10)9-6(11)8-2/h1H,7H2,(H2,8,9,10,11)
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>3.00E+5n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121755
PNG
(7-Amino-1H-thieno[3,2-d]pyrimidine-2,4-dione | CHE...)
Show SMILES Nc1csc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C6H5N3O2S/c7-2-1-12-4-3(2)8-6(11)9-5(4)10/h1H,7H2,(H2,8,9,10,11)
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>6.00E+5n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair
Thymidine Phosphorylase (TP)


(Homo sapiens (human))
BDBM50121758
PNG
(CHEMBL274649 | amino[(2,4-dioxo-1,2,3,4-tetrahydro...)
Show SMILES NC(N)=[NH+]c1cc2[nH]c(=O)[nH]c(=O)c2s1
Show InChI InChI=1S/C7H7N5O2S/c8-6(9)11-3-1-2-4(15-3)5(13)12-7(14)10-2/h1H,(H4,8,9,11)(H2,10,12,13,14)/p+1
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>2.40E+6n/an/an/an/an/an/an/an/a



Attenuon, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant thymidine phosphorylase TP


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


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
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
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)


Article DOI: 10.1016/s0960-894x(02)00828-4
BindingDB Entry DOI: 10.7270/Q2GM87V9
More data for this
Ligand-Target Pair