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Compile Data Set for Download or QSAR

Found 22 hits of ki data for polymerid = 50006549   
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 kinase, cytosolic


(Cricetulus griseus)
BDBM50000982
PNG
(CHEMBL3229812)
Show SMILES CCS[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H18N2O4S/c1-3-19-9-4-10(18-8(9)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)/t8-,9+,10-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000969
PNG
(CHEMBL3143490)
Show SMILES CCCCCn1c(=O)c(C)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c1=O |r|
Show InChI InChI=1S/C15H24N2O5/c1-3-4-5-6-16-14(20)10(2)8-17(15(16)21)13-7-11(19)12(9-18)22-13/h8,11-13,18-19H,3-7,9H2,1-2H3/t11-,12+,13+/m0/s1
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7.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000971
PNG
(CHEMBL3229794)
Show SMILES [H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(=O)CC |r|
Show InChI InChI=1S/C14H21N3O6/c1-3-10(20)15-5-9(19)12-8(18)4-11(23-12)17-6-7(2)13(21)16-14(17)22/h6,8-9,11-12,18-19H,3-5H2,1-2H3,(H,15,20)(H,16,21,22)/t8-,9?,11+,12-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000971
PNG
(CHEMBL3229794)
Show SMILES [H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(=O)CC |r|
Show InChI InChI=1S/C14H21N3O6/c1-3-10(20)15-5-9(19)12-8(18)4-11(23-12)17-6-7(2)13(21)16-14(17)22/h6,8-9,11-12,18-19H,3-5H2,1-2H3,(H,15,20)(H,16,21,22)/t8-,9?,11+,12-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000974
PNG
(CHEMBL3229800)
Show SMILES CCCCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H27N3O4/c1-3-4-5-6-7-17-9-13-12(20)8-14(23-13)19-10-11(2)15(21)18-16(19)22/h10,12-14,17,20H,3-9H2,1-2H3,(H,18,21,22)/t12-,13+,14+/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000972
PNG
(CHEMBL3229798)
Show SMILES CCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H19N3O4/c1-3-13-5-9-8(16)4-10(19-9)15-6-7(2)11(17)14-12(15)18/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)/t8-,9+,10+/m0/s1
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1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000967
PNG
(CHEMBL373885)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H11N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1,4H2,(H,12,16,17)/t6-,7+,8+/m0/s1
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2.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000976
PNG
(CHEMBL3229802)
Show SMILES CC(=O)NCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H22N4O5/c1-8-7-18(14(22)17-13(8)21)12-5-10(20)11(23-12)6-15-3-4-16-9(2)19/h7,10-12,15,20H,3-6H2,1-2H3,(H,16,19)(H,17,21,22)/t10-,11+,12+/m0/s1
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2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000970
PNG
(CHEMBL3229793)
Show SMILES [H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(C)=O |r|
Show InChI InChI=1S/C13H19N3O6/c1-6-5-16(13(21)15-12(6)20)10-3-8(18)11(22-10)9(19)4-14-7(2)17/h5,8-11,18-19H,3-4H2,1-2H3,(H,14,17)(H,15,20,21)/t8-,9?,10+,11-/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000970
PNG
(CHEMBL3229793)
Show SMILES [H][C@@]1(O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(O)CNC(C)=O |r|
Show InChI InChI=1S/C13H19N3O6/c1-6-5-16(13(21)15-12(6)20)10-3-8(18)11(22-10)9(19)4-14-7(2)17/h5,8-11,18-19H,3-4H2,1-2H3,(H,14,17)(H,15,20,21)/t8-,9?,10+,11-/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000973
PNG
(CHEMBL3229799)
Show SMILES CCCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H23N3O4/c1-3-4-5-15-7-11-10(18)6-12(21-11)17-8-9(2)13(19)16-14(17)20/h8,10-12,15,18H,3-7H2,1-2H3,(H,16,19,20)/t10-,11+,12+/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50404860
PNG
(CHEMBL2111285)
Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
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3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50404860
PNG
(CHEMBL2111285)
Show SMILES CCOC1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC(=O)C1(C)Br |r|
Show InChI InChI=1S/C12H19BrN2O6/c1-3-20-10-12(2,13)9(18)14-11(19)15(10)8-4-6(17)7(5-16)21-8/h6-8,10,16-17H,3-5H2,1-2H3,(H,14,18,19)/t6-,7+,8+,10?,12?/m0/s1
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3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000966
PNG
(CHEMBL3143491)
Show SMILES Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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4.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000979
PNG
(CHEMBL3229807)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCC(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O6S/c1-7-5-15(13(20)14-12(7)19)10-4-8(16)9(21-10)6-22-3-2-11(17)18/h5,8-10,16H,2-4,6H2,1H3,(H,17,18)(H,14,19,20)/t8-,9+,10+/m0/s1
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000978
PNG
(CHEMBL3229805)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H18N2O5S/c1-7-5-14(12(18)13-11(7)17)10-4-8(16)9(19-10)6-20-3-2-15/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
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8.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000977
PNG
(CHEMBL3229803)
Show SMILES CN(CCN(C)C(C)=O)C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H26N4O5/c1-10-8-20(16(24)17-15(10)23)14-7-12(22)13(25-14)9-18(3)5-6-19(4)11(2)21/h8,12-14,22H,5-7,9H2,1-4H3,(H,17,23,24)/t12-,13+,14+/m0/s1
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9.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000980
PNG
(CHEMBL3229808)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCCC(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H20N2O6S/c1-8-6-16(14(21)15-13(8)20)11-5-9(17)10(22-11)7-23-4-2-3-12(18)19/h6,9-11,17H,2-5,7H2,1H3,(H,18,19)(H,15,20,21)/t9-,10+,11+/m0/s1
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1.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000968
PNG
(CHEMBL1790059)
Show SMILES NCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O5/c11-2-5-3-13(10(17)12-9(5)16)8-1-6(15)7(4-14)18-8/h3,6-8,14-15H,1-2,4,11H2,(H,12,16,17)/t6-,7+,8+/m0/s1
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1.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000981
PNG
(CHEMBL1230835)
Show SMILES CC(=O)N[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1
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2.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50000975
PNG
(CHEMBL3229801)
Show SMILES CCCCCCN(C[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)C(C)=O |r|
Show InChI InChI=1S/C18H29N3O5/c1-4-5-6-7-8-20(13(3)22)11-15-14(23)9-16(26-15)21-10-12(2)17(24)19-18(21)25/h10,14-16,23H,4-9,11H2,1-3H3,(H,19,24,25)/t14-,15+,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Cricetulus griseus)
BDBM50132307
PNG
(CHEMBL322925 | N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,...)
Show SMILES CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...


J Med Chem 22: 621-31 (1979)


BindingDB Entry DOI: 10.7270/Q2WH2RHF
More data for this
Ligand-Target Pair