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22 similar compounds to monomer 50094703

Compile data set for download or QSAR
Wt: 453.3
BDBM50095389
Wt: 491.3
BDBM50095359
Wt: 390.4
BDBM50095360
Wt: 463.3
BDBM50095362
Wt: 378.4
BDBM50095364
Wt: 477.3
BDBM50095366
Wt: 385.4
BDBM50095368
Wt: 453.3
BDBM50095373
Wt: 463.3
BDBM50095374
Wt: 418.8
BDBM50095378
Wt: 308.3
BDBM50095385
Wt: 421.2
BDBM50100580
Wt: 498.3
BDBM50102923
Wt: 447.3
BDBM50102924
Wt: 477.3
BDBM50102927
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50095389,50095359,50095360,50095362,50095364,50095366,50095368,50095373,50095374,50095378,50095385,50100580,50102923,50102924,50102927   
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
Adenosine Kinase (AK)


(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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n/an/a 30n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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 562n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 13n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 0.25n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 0.170n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 315n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 9n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102923
PNG
(5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl...)
Show SMILES CN(Cc1cccnc1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C25H20BrN7/c1-33(14-16-4-3-9-28-12-16)22-8-7-18(13-29-22)21-11-20(17-5-2-6-19(26)10-17)23-24(27)30-15-31-25(23)32-21/h2-13,15H,14H2,1H3,(H2,27,30,31,32)
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n/an/a 4.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102924
PNG
(5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C22H19BrN6/c23-16-5-3-4-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-6-7-19(25-12-15)29-8-1-2-9-29/h3-7,10-13H,1-2,8-9H2,(H2,24,26,27,28)
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102927
PNG
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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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n/an/a 115n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50100580
PNG
(5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...)
Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.


J Med Chem 44: 2133-8 (2001)


Article DOI: 10.1021/jm000314x
BindingDB Entry DOI: 10.7270/Q25D8R47
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50100580
PNG
(5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl...)
Show SMILES CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase (AK)


J Med Chem 44: 2133-8 (2001)


Article DOI: 10.1021/jm000314x
BindingDB Entry DOI: 10.7270/Q25D8R47
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102923
PNG
(5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl...)
Show SMILES CN(Cc1cccnc1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
Show InChI InChI=1S/C25H20BrN7/c1-33(14-16-4-3-9-28-12-16)22-8-7-18(13-29-22)21-11-20(17-5-2-6-19(26)10-17)23-24(27)30-15-31-25(23)32-21/h2-13,15H,14H2,1H3,(H2,27,30,31,32)
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n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102924
PNG
(5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCCC1
Show InChI InChI=1S/C22H19BrN6/c23-16-5-3-4-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-6-7-19(25-12-15)29-8-1-2-9-29/h3-7,10-13H,1-2,8-9H2,(H2,24,26,27,28)
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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50102927
PNG
(5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1
Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells


Bioorg Med Chem Lett 11: 2071-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00375-4
BindingDB Entry DOI: 10.7270/Q2CN735Q
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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n/an/a 550n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 62n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 96n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 675n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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 5n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 30n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 33n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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 38n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
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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n/an/a 9n/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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(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)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair