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PubMed code 11140740

Compile data set for download or QSAR
Found 65 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


(Rattus norvegicus (rat))		BDBM50095366
PNG
(5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(Cc3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095367
PNG
(5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-py...)
Show SMILES CC1CCCC(C1C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H30N6O/c1-15-4-3-5-18(16(15)2)19-12-20(29-24-22(19)23(25)27-14-28-24)17-6-7-21(26-13-17)30-8-10-31-11-9-30/h6-7,12-16,18H,3-5,8-11H2,1-2H3,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095359
PNG
(5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-p...)
Show SMILES CC(c1ccccc1Br)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095377
PNG
(5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c22-20-19-16(14-3-1-2-4-14)11-17(26-21(19)25-13-24-20)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,1-4,7-10H2,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095362
PNG
(5-(2-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-17-4-2-1-3-15(17)16-11-18(28-22-20(16)21(24)26-13-27-22)14-5-6-19(25-12-14)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095379
PNG
(5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...)
Show SMILES Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H26N6O/c23-21-20-17(15-4-2-1-3-5-15)12-18(27-22(20)26-14-25-21)16-6-7-19(24-13-16)28-8-10-29-11-9-28/h6-7,12-15H,1-5,8-11H2,(H2,23,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095384
PNG
(5-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095373
PNG
(5-(2,3-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Cl)c3Cl)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H18Cl2N6O/c23-16-3-1-2-14(20(16)24)15-10-17(29-22-19(15)21(25)27-12-28-22)13-4-5-18(26-11-13)30-6-8-31-9-7-30/h1-5,10-12H,6-9H2,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095384
PNG
(5-(3-Bromo-phenyl)-7-(4-dimethylamino-phenyl)-pyri...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18BrN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095358
PNG
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095372
PNG
(5-Cyclohexyl-7-(4-dimethylamino-phenyl)-pyrido[2,3...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CCCCC2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H25N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h8-14H,3-7H2,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095364
PNG
(5-(1-Ethyl-propyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES CCC(CC)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H26N6O/c1-3-14(4-2)16-11-17(26-21-19(16)20(22)24-13-25-21)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095380
PNG
(5-Furan-2-yl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...)
Show SMILES Nc1ncnc2nc(cc(-c3ccco3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H18N6O2/c21-19-18-14(16-2-1-7-28-16)10-15(25-20(18)24-12-23-19)13-3-4-17(22-11-13)26-5-8-27-9-6-26/h1-4,7,10-12H,5-6,8-9H2,(H2,21,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095361
PNG
(5-Butyl-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]py...)
Show SMILES CCCCc1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H23N5/c1-4-5-6-14-11-16(13-7-9-15(10-8-13)24(2)3)23-19-17(14)18(20)21-12-22-19/h7-12H,4-6H2,1-3H3,(H2,20,21,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095360
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-thiophen-3-yl-...)
Show SMILES Nc1ncnc2nc(cc(-c3ccsc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H18N6OS/c21-19-18-15(14-3-8-28-11-14)9-16(25-20(18)24-12-23-19)13-1-2-17(22-10-13)26-4-6-27-7-5-26/h1-3,8-12H,4-7H2,(H2,21,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095371
PNG
(5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Cl)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18ClN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095386
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-(tetrahydro-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCOCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O2/c22-20-19-16(14-3-7-28-8-4-14)11-17(26-21(19)25-13-24-20)15-1-2-18(23-12-15)27-5-9-29-10-6-27/h1-2,11-14H,3-10H2,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095363
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-iodo-phenyl)-pyrid...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(I)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18IN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095383
PNG
(5-(1,1-Dimethyl-allyl)-7-(6-morpholin-4-yl-pyridin...)
Show SMILES CC(C)(C=C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c1-4-21(2,3)15-11-16(26-20-18(15)19(22)24-13-25-20)14-5-6-17(23-12-14)27-7-9-28-10-8-27/h4-6,11-13H,1,7-10H2,2-3H3,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095359
PNG
(5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-p...)
Show SMILES CC(c1ccccc1Br)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095374
PNG
(5-(4-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3ccc(Br)cc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095366
PNG
(5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(Cc3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095370
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C#N)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H18N6/c1-28(2)17-8-6-15(7-9-17)19-11-18(16-5-3-4-14(10-16)12-23)20-21(24)25-13-26-22(20)27-19/h3-11,13H,1-2H3,(H2,24,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095376
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-trifluoromethyl-ph...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(F)(F)F)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H18F3N5/c1-30(2)16-8-6-13(7-9-16)18-11-17(19-20(26)27-12-28-21(19)29-18)14-4-3-5-15(10-14)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095389
PNG
(5-(2,5-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridi...)
Show SMILES Nc1ncnc2nc(cc(-c3cc(Cl)ccc3Cl)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H18Cl2N6O/c23-14-2-3-17(24)15(9-14)16-10-18(29-22-20(16)21(25)27-12-28-22)13-1-4-19(26-11-13)30-5-7-31-8-6-30/h1-4,9-12H,5-8H2,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095375
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(O)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5O/c1-26(2)15-8-6-13(7-9-15)18-11-17(14-4-3-5-16(27)10-14)19-20(22)23-12-24-21(19)25-18/h3-12,27H,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095381
PNG
(7-(4-Dimethylamino-phenyl)-5-methyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C)c2c(N)ncnc2n1
Show InChI InChI=1S/C16H17N5/c1-10-8-13(11-4-6-12(7-5-11)21(2)3)20-16-14(10)15(17)18-9-19-16/h4-9H,1-3H3,(H2,17,18,19,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095387
PNG
(5-Cyclopropyl-7-(4-dimethylamino-phenyl)-pyrido[2,...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CC2)c2c(N)ncnc2n1
Show InChI InChI=1S/C18H19N5/c1-23(2)13-7-5-12(6-8-13)15-9-14(11-3-4-11)16-17(19)20-10-21-18(16)22-15/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095379
PNG
(5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...)
Show SMILES Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H26N6O/c23-21-20-17(15-4-2-1-3-5-15)12-18(27-22(20)26-14-25-21)16-6-7-19(24-13-16)28-8-10-29-11-9-28/h6-7,12-15H,1-5,8-11H2,(H2,23,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095368
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-p...)
Show SMILES Nc1ncnc2nc(cc(-c3cccnc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H19N7O/c22-20-19-16(14-2-1-5-23-11-14)10-17(27-21(19)26-13-25-20)15-3-4-18(24-12-15)28-6-8-29-9-7-28/h1-5,10-13H,6-9H2,(H2,22,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095365
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(N)=O)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H20N6O/c1-28(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(10-14)21(24)29)19-20(23)25-12-26-22(19)27-18/h3-12H,1-2H3,(H2,24,29)(H2,23,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095371
PNG
(5-(3-Chloro-phenyl)-7-(4-dimethylamino-phenyl)-pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(Cl)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18ClN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095377
PNG
(5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c22-20-19-16(14-3-1-2-4-14)11-17(26-21(19)25-13-24-20)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,1-4,7-10H2,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095369
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-27(2)16-9-7-14(8-10-16)19-12-18(15-5-4-6-17(11-15)28-3)20-21(23)24-13-25-22(20)26-19/h4-13H,1-3H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095378
PNG
(5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Cl)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19ClN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095378
PNG
(5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Cl)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19ClN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095367
PNG
(5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-py...)
Show SMILES CC1CCCC(C1C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C24H30N6O/c1-15-4-3-5-18(16(15)2)19-12-20(29-24-22(19)23(25)27-14-28-24)17-6-7-21(26-13-17)30-8-10-31-11-9-30/h6-7,12-16,18H,3-5,8-11H2,1-2H3,(H2,25,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095364
PNG
(5-(1-Ethyl-propyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES CCC(CC)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H26N6O/c1-3-14(4-2)16-11-17(26-21-19(16)20(22)24-13-25-21)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,3-4,7-10H2,1-2H3,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095363
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-iodo-phenyl)-pyrid...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(I)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H18IN5/c1-27(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(22)10-14)19-20(23)24-12-25-21(19)26-18/h3-12H,1-2H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095373
PNG
(5-(2,3-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Cl)c3Cl)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H18Cl2N6O/c23-16-3-1-2-14(20(16)24)15-10-17(29-22-19(15)21(25)27-12-28-22)13-4-5-18(26-11-13)30-6-8-31-9-7-30/h1-5,10-12H,6-9H2,(H2,25,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095376
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-trifluoromethyl-ph...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(F)(F)F)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H18F3N5/c1-30(2)16-8-6-13(7-9-16)18-11-17(19-20(26)27-12-28-21(19)29-18)14-4-3-5-15(10-14)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095383
PNG
(5-(1,1-Dimethyl-allyl)-7-(6-morpholin-4-yl-pyridin...)
Show SMILES CC(C)(C=C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c1-4-21(2,3)15-11-16(26-20-18(15)19(22)24-13-25-20)14-5-6-17(23-12-14)27-7-9-28-10-8-27/h4-6,11-13H,1,7-10H2,2-3H3,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095368
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-pyridin-3-yl-p...)
Show SMILES Nc1ncnc2nc(cc(-c3cccnc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H19N7O/c22-20-19-16(14-2-1-5-23-11-14)10-17(27-21(19)26-13-25-20)15-3-4-18(24-12-15)28-6-8-29-9-7-28/h1-5,10-13H,6-9H2,(H2,22,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095370
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C#N)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H18N6/c1-28(2)17-8-6-15(7-9-17)19-11-18(16-5-3-4-14(10-16)12-23)20-21(24)25-13-26-22(20)27-19/h3-11,13H,1-2H3,(H2,24,25,26,27)
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n/an/a 325n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095375
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(O)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5O/c1-26(2)15-8-6-13(7-9-15)18-11-17(14-4-3-5-16(27)10-14)19-20(22)23-12-24-21(19)25-18/h3-12,27H,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095389
PNG
(5-(2,5-Dichloro-phenyl)-7-(6-morpholin-4-yl-pyridi...)
Show SMILES Nc1ncnc2nc(cc(-c3cc(Cl)ccc3Cl)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H18Cl2N6O/c23-14-2-3-17(24)15(9-14)16-10-18(29-22-20(16)21(25)27-12-28-22)13-1-4-19(26-11-13)30-5-7-31-8-6-30/h1-4,9-12H,5-8H2,(H2,25,27,28,29)
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n/an/a 378n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095369
PNG
(7-(4-Dimethylamino-phenyl)-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H21N5O/c1-27(2)16-9-7-14(8-10-16)19-12-18(15-5-4-6-17(11-15)28-3)20-21(23)24-13-25-22(20)26-19/h4-13H,1-3H3,(H2,23,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095374
PNG
(5-(4-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3ccc(Br)cc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-4-1-14(2-5-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-3-6-19(25-12-15)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095358
PNG
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095372
PNG
(5-Cyclohexyl-7-(4-dimethylamino-phenyl)-pyrido[2,3...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CCCCC2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H25N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h8-14H,3-7H2,1-2H3,(H2,22,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095380
PNG
(5-Furan-2-yl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyr...)
Show SMILES Nc1ncnc2nc(cc(-c3ccco3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H18N6O2/c21-19-18-14(16-2-1-7-28-16)10-15(25-20(18)24-12-23-19)13-3-4-17(22-11-13)26-5-8-27-9-6-26/h1-4,7,10-12H,5-6,8-9H2,(H2,21,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095360
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-thiophen-3-yl-...)
Show SMILES Nc1ncnc2nc(cc(-c3ccsc3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C20H18N6OS/c21-19-18-15(14-3-8-28-11-14)9-16(25-20(18)24-12-23-19)13-1-2-17(22-10-13)26-4-6-27-7-5-26/h1-3,8-12H,4-7H2,(H2,21,23,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095361
PNG
(5-Butyl-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]py...)
Show SMILES CCCCc1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H23N5/c1-4-5-6-14-11-16(13-7-9-15(10-8-13)24(2)3)23-19-17(14)18(20)21-12-22-19/h7-12H,4-6H2,1-3H3,(H2,20,21,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095385
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyr...)
Show SMILES Nc1ncnc2nc(ccc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C16H16N6O/c17-15-12-2-3-13(21-16(12)20-10-19-15)11-1-4-14(18-9-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H2,17,19,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095362
PNG
(5-(2-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-17-4-2-1-3-15(17)16-11-18(28-22-20(16)21(24)26-13-27-22)14-5-6-19(25-12-14)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H2,24,26,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095386
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-5-(tetrahydro-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCOCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O2/c22-20-19-16(14-3-7-28-8-4-14)11-17(26-21(19)25-13-24-20)15-1-2-18(23-12-15)27-5-9-29-10-6-27/h1-2,11-14H,3-10H2,(H2,22,24,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095387
PNG
(5-Cyclopropyl-7-(4-dimethylamino-phenyl)-pyrido[2,...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C2CC2)c2c(N)ncnc2n1
Show InChI InChI=1S/C18H19N5/c1-23(2)13-7-5-12(6-8-13)15-9-14(11-3-4-11)16-17(19)20-10-21-18(16)22-15/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095365
PNG
(3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(N)=O)c2c(N)ncnc2n1
Show InChI InChI=1S/C22H20N6O/c1-28(2)16-8-6-13(7-9-16)18-11-17(14-4-3-5-15(10-14)21(24)29)19-20(23)25-12-26-22(19)27-18/h3-12H,1-2H3,(H2,24,29)(H2,23,25,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095385
PNG
(7-(6-Morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyr...)
Show SMILES Nc1ncnc2nc(ccc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C16H16N6O/c17-15-12-2-3-13(21-16(12)20-10-19-15)11-1-4-14(18-9-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H2,17,19,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		BDBM50095381
PNG
(7-(4-Dimethylamino-phenyl)-5-methyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C)c2c(N)ncnc2n1
Show InChI InChI=1S/C16H17N5/c1-10-8-13(11-4-6-12(7-5-11)21(2)3)20-16-14(10)15(17)18-9-19-16/h4-9H,1-3H3,(H2,17,18,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))		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 activity against intact cell adenosine kinase by ADO phosphorylation assay

Bioorg Med Chem Lett 11: 83-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%