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PubMed code 15911258

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Adenosine kinase


(Homo sapiens (Human))
BDBM50167586
PNG
(6-(3-Bromo-benzyl)-7-thiophen-2-yl-pyrido[2,3-d]py...)
Show SMILES Nc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12
Show InChI InChI=1S/C18H13BrN4S/c19-13-4-1-3-11(8-13)7-12-9-14-17(20)21-10-22-18(14)23-16(12)15-5-2-6-24-15/h1-6,8-10H,7H2,(H2,20,21,22,23)
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PubMed
n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167584
PNG
(6-(3-Bromo-4-methoxy-phenyl)-7-thiophen-2-yl-pyrid...)
Show SMILES COc1ccc(cc1Br)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C18H13BrN4OS/c1-24-14-5-4-10(7-13(14)19)11-8-12-17(20)21-9-22-18(12)23-16(11)15-3-2-6-25-15/h2-9H,1H3,(H2,20,21,22,23)
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PubMed
n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167597
PNG
(7-Thiophen-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C18H14N4S/c1-11-4-6-12(7-5-11)13-9-14-17(19)20-10-21-18(14)22-16(13)15-3-2-8-23-15/h2-10H,1H3,(H2,19,20,21,22)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167599
PNG
(6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-y...)
Show SMILES CCCCc1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C15H16N4S/c1-2-3-5-10-8-11-14(16)17-9-18-15(11)19-13(10)12-6-4-7-20-12/h4,6-9H,2-3,5H2,1H3,(H2,16,17,18,19)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167585
PNG
(6-(4-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-9-5-14(6-10-16)19-17(13-3-7-15(22)8-4-13)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167594
PNG
(7-(4-Dimethylamino-phenyl)-6-pentyl-pyrido[2,3-d]p...)
Show SMILES CCCCCc1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H25N5/c1-4-5-6-7-15-12-17-19(21)22-13-23-20(17)24-18(15)14-8-10-16(11-9-14)25(2)3/h8-13H,4-7H2,1-3H3,(H2,21,22,23,24)
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167598
PNG
(6-(3-Bromo-4-methoxy-phenyl)-7-(4-dimethylamino-ph...)
Show SMILES COc1ccc(cc1Br)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H20BrN5O/c1-28(2)15-7-4-13(5-8-15)20-16(14-6-9-19(29-3)18(23)10-14)11-17-21(24)25-12-26-22(17)27-20/h4-12H,1-3H3,(H2,24,25,26,27)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167591
PNG
(6-(3,4-Dimethoxy-phenyl)-7-thiophen-2-yl-pyrido[2,...)
Show SMILES COc1ccc(cc1OC)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-24-14-6-5-11(8-15(14)25-2)12-9-13-18(20)21-10-22-19(13)23-17(12)16-4-3-7-26-16/h3-10H,1-2H3,(H2,20,21,22,23)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167589
PNG
(6-(3,4-Dimethoxy-phenyl)-7-(4-dimethylamino-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H23N5O2/c1-28(2)16-8-5-14(6-9-16)21-17(12-18-22(24)25-13-26-23(18)27-21)15-7-10-19(29-3)20(11-15)30-4/h5-13H,1-4H3,(H2,24,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167590
PNG
(7-Thiophen-3-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccsc1
Show InChI InChI=1S/C18H14N4S/c1-11-2-4-12(5-3-11)14-8-15-17(19)20-10-21-18(15)22-16(14)13-6-7-23-9-13/h2-10H,1H3,(H2,19,20,21,22)
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n/an/a 47n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167595
PNG
(6-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1cccc(Br)c1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)19-17(14-4-3-5-15(22)10-14)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)
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n/an/a 70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50100583
PNG
(7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...)
Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)
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n/an/a 92n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167588
PNG
(6-Benzyl-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1Cc1ccccc1
Show InChI InChI=1S/C22H21N5/c1-27(2)18-10-8-16(9-11-18)20-17(12-15-6-4-3-5-7-15)13-19-21(23)24-14-25-22(19)26-20/h3-11,13-14H,12H2,1-2H3,(H2,23,24,25,26)
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n/an/a 114n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167601
PNG
(7-{4-[((E)-2-Pyridin-2-yl)-vinyl]-phenyl}-6-p-toly...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(\C=C\c2ccccn2)cc1
Show InChI InChI=1S/C27H21N5/c1-18-5-10-20(11-6-18)23-16-24-26(28)30-17-31-27(24)32-25(23)21-12-7-19(8-13-21)9-14-22-4-2-3-15-29-22/h2-17H,1H3,(H2,28,30,31,32)/b14-9+
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n/an/a 115n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167587
PNG
(7-(4-Pyrimidin-5-yl-phenyl)-6-p-tolyl-pyrido[2,3-d...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C24H18N6/c1-15-2-4-17(5-3-15)20-10-21-23(25)28-14-29-24(21)30-22(20)18-8-6-16(7-9-18)19-11-26-13-27-12-19/h2-14H,1H3,(H2,25,28,29,30)
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n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167583
PNG
(6,7-Bis-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H24N6/c1-28(2)17-9-5-15(6-10-17)19-13-20-22(24)25-14-26-23(20)27-21(19)16-7-11-18(12-8-16)29(3)4/h5-14H,1-4H3,(H2,24,25,26,27)
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n/an/a 183n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167596
PNG
(7-(4-Dimethylamino-phenyl)-6-isobutyl-pyrido[2,3-d...)
Show SMILES CC(C)Cc1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H23N5/c1-12(2)9-14-10-16-18(20)21-11-22-19(16)23-17(14)13-5-7-15(8-6-13)24(3)4/h5-8,10-12H,9H2,1-4H3,(H2,20,21,22,23)
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n/an/a 200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167598
PNG
(6-(3-Bromo-4-methoxy-phenyl)-7-(4-dimethylamino-ph...)
Show SMILES COc1ccc(cc1Br)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H20BrN5O/c1-28(2)15-7-4-13(5-8-15)20-16(14-6-9-19(29-3)18(23)10-14)11-17-21(24)25-12-26-22(17)27-20/h4-12H,1-3H3,(H2,24,25,26,27)
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n/an/a 225n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167591
PNG
(6-(3,4-Dimethoxy-phenyl)-7-thiophen-2-yl-pyrido[2,...)
Show SMILES COc1ccc(cc1OC)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c1-24-14-6-5-11(8-15(14)25-2)12-9-13-18(20)21-10-22-19(13)23-17(12)16-4-3-7-26-16/h3-10H,1-2H3,(H2,20,21,22,23)
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n/an/a 300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167589
PNG
(6-(3,4-Dimethoxy-phenyl)-7-(4-dimethylamino-phenyl...)
Show SMILES COc1ccc(cc1OC)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H23N5O2/c1-28(2)16-8-5-14(6-9-16)21-17(12-18-22(24)25-13-26-23(18)27-21)15-7-10-19(29-3)20(11-15)30-4/h5-13H,1-4H3,(H2,24,25,26,27)
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n/an/a 350n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50135907
PNG
(7-(4-Dimethylamino-phenyl)-6-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccccc1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)19-17(14-6-4-3-5-7-14)12-18-20(22)23-13-24-21(18)25-19/h3-13H,1-2H3,(H2,22,23,24,25)
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n/an/a 350n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167583
PNG
(6,7-Bis-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C23H24N6/c1-28(2)17-9-5-15(6-10-17)19-13-20-22(24)25-14-26-23(20)27-21(19)16-7-11-18(12-8-16)29(3)4/h5-14H,1-4H3,(H2,24,25,26,27)
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n/an/a 367n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167584
PNG
(6-(3-Bromo-4-methoxy-phenyl)-7-thiophen-2-yl-pyrid...)
Show SMILES COc1ccc(cc1Br)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C18H13BrN4OS/c1-24-14-5-4-10(7-13(14)19)11-8-12-17(20)21-9-22-18(12)23-16(11)15-3-2-6-25-15/h2-9H,1H3,(H2,20,21,22,23)
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n/an/a 375n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167604
PNG
(7-(4-Dimethylamino-phenyl)-6-phenethyl-pyrido[2,3-...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1CCc1ccccc1
Show InChI InChI=1S/C23H23N5/c1-28(2)19-12-10-17(11-13-19)21-18(9-8-16-6-4-3-5-7-16)14-20-22(24)25-15-26-23(20)27-21/h3-7,10-15H,8-9H2,1-2H3,(H2,24,25,26,27)
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n/an/a 433n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50095388
PNG
(7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1
Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)
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n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167592
PNG
(6-(4-Dimethylamino-phenyl)-7-pyridin-4-yl-pyrido[2...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccncc1
Show InChI InChI=1S/C20H18N6/c1-26(2)15-5-3-13(4-6-15)16-11-17-19(21)23-12-24-20(17)25-18(16)14-7-9-22-10-8-14/h3-12H,1-2H3,(H2,21,23,24,25)
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n/an/a 467n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50100583
PNG
(7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-py...)
Show SMILES COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-27(2)16-8-4-15(5-9-16)20-18(14-6-10-17(28-3)11-7-14)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)
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n/an/a 567n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167586
PNG
(6-(3-Bromo-benzyl)-7-thiophen-2-yl-pyrido[2,3-d]py...)
Show SMILES Nc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12
Show InChI InChI=1S/C18H13BrN4S/c19-13-4-1-3-11(8-13)7-12-9-14-17(20)21-10-22-18(14)23-16(12)15-5-2-6-24-15/h1-6,8-10H,7H2,(H2,20,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167588
PNG
(6-Benzyl-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1Cc1ccccc1
Show InChI InChI=1S/C22H21N5/c1-27(2)18-10-8-16(9-11-18)20-17(12-15-6-4-3-5-7-15)13-19-21(23)24-14-25-22(19)26-20/h3-11,13-14H,12H2,1-2H3,(H2,23,24,25,26)
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n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167594
PNG
(7-(4-Dimethylamino-phenyl)-6-pentyl-pyrido[2,3-d]p...)
Show SMILES CCCCCc1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H25N5/c1-4-5-6-7-15-12-17-19(21)22-13-23-20(17)24-18(15)14-8-10-16(11-9-14)25(2)3/h8-13H,4-7H2,1-3H3,(H2,21,22,23,24)
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n/an/a 700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167599
PNG
(6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-y...)
Show SMILES CCCCc1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C15H16N4S/c1-2-3-5-10-8-11-14(16)17-9-18-15(11)19-13(10)12-6-4-7-20-12/h4,6-9H,2-3,5H2,1H3,(H2,16,17,18,19)
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n/an/a 767n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50095382
PNG
(7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19)
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n/an/a 773n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167597
PNG
(7-Thiophen-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1cccs1
Show InChI InChI=1S/C18H14N4S/c1-11-4-6-12(7-5-11)13-9-14-17(19)20-10-21-18(14)22-16(13)15-3-2-8-23-15/h2-10H,1H3,(H2,19,20,21,22)
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n/an/a 800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167603
PNG
(6-(3-Bromo-benzyl)-7-thiazol-2-yl-pyrido[2,3-d]pyr...)
Show SMILES Nc1ncnc2nc(-c3nccs3)c(Cc3cccc(Br)c3)cc12
Show InChI InChI=1S/C17H12BrN5S/c18-12-3-1-2-10(7-12)6-11-8-13-15(19)21-9-22-16(13)23-14(11)17-20-4-5-24-17/h1-5,7-9H,6H2,(H2,19,21,22,23)
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n/an/a 900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167595
PNG
(6-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1cccc(Br)c1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)19-17(14-4-3-5-15(22)10-14)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167596
PNG
(7-(4-Dimethylamino-phenyl)-6-isobutyl-pyrido[2,3-d...)
Show SMILES CC(C)Cc1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H23N5/c1-12(2)9-14-10-16-18(20)21-11-22-19(16)23-17(14)13-5-7-15(8-6-13)24(3)4/h5-8,10-12H,9H2,1-4H3,(H2,20,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167600
PNG
(7-Benzofuran-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C22H16N4O/c1-13-6-8-14(9-7-13)16-11-17-21(23)24-12-25-22(17)26-20(16)19-10-15-4-2-3-5-18(15)27-19/h2-12H,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167590
PNG
(7-Thiophen-3-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4...)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccsc1
Show InChI InChI=1S/C18H14N4S/c1-11-2-4-12(5-3-11)14-8-15-17(19)20-10-21-18(15)22-16(14)13-6-7-23-9-13/h2-10H,1H3,(H2,19,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167602
PNG
(7-(4-Dimethylamino-phenyl)-6-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-27(2)16-9-7-14(8-10-16)20-18(15-5-4-6-17(11-15)28-3)12-19-21(23)24-13-25-22(19)26-20/h4-13H,1-3H3,(H2,23,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167585
PNG
(6-(4-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-9-5-14(6-10-16)19-17(13-3-7-15(22)8-4-13)11-18-20(23)24-12-25-21(18)26-19/h3-12H,1-2H3,(H2,23,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50135907
PNG
(7-(4-Dimethylamino-phenyl)-6-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccccc1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)19-17(14-6-4-3-5-7-14)12-18-20(22)23-13-24-21(18)25-19/h3-13H,1-2H3,(H2,22,23,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167593
PNG
(7-(4-Dimethylamino-phenyl)-6-(3-phenyl-propyl)-pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1CCCc1ccccc1
Show InChI InChI=1S/C24H25N5/c1-29(2)20-13-11-18(12-14-20)22-19(10-6-9-17-7-4-3-5-8-17)15-21-23(25)26-16-27-24(21)28-22/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H2,25,26,27,28)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (enzyme)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50095388
PNG
(7-(4-Dimethylamino-phenyl)-pteridin-4-ylamine | CH...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1
Show InChI InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50167592
PNG
(6-(4-Dimethylamino-phenyl)-7-pyridin-4-yl-pyrido[2...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccncc1
Show InChI InChI=1S/C20H18N6/c1-26(2)15-5-3-13(4-6-15)16-11-17-19(21)23-12-24-20(17)25-18(16)14-7-9-22-10-8-14/h3-12H,1-2H3,(H2,21,23,24,25)
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n/an/a 4.17E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50095382
PNG
(7-(4-Dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-20(2)11-5-3-10(4-6-11)13-8-7-12-14(16)17-9-18-15(12)19-13/h3-9H,1-2H3,(H2,16,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenosine Kinase (intact cells)


Bioorg Med Chem Lett 15: 2803-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.098
BindingDB Entry DOI: 10.7270/Q2G160CH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%