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10 similar compounds to monomer 50117170

Wt: 371.4
BDBM14493
Wt: 399.4
BDBM14494
Wt: 429.5
BDBM50117154
Wt: 400.4
BDBM50117155
Wt: 478.3
BDBM50117164
Wt: 450.3
BDBM50117167
Wt: 478.3
BDBM50117169
Wt: 400.4
BDBM50117171
Wt: 433.9
BDBM50117175
Wt: 413.5
BDBM50117176

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 14493,14494,50117154,50117155,50117164,50117167,50117169,50117171,50117175,50117176   
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))
BDBM14493
PNG
(5-benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethy...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1
Show InChI InChI=1S/C22H21N5O/c23-22-19(14-17-4-2-1-3-5-17)20(25-16-26-22)8-6-18-7-9-21(24-15-18)27-10-12-28-13-11-27/h1-5,7,9,15-16H,10-14H2,(H2,23,25,26)
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n/an/a 40n/an/an/an/a7.523



Abbott Laboratories



Assay Description
ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...


J Med Chem 49: 6726-31 (2006)

More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14494
PNG
(6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1
Show InChI InChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)
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n/an/a 2.5n/an/an/an/a7.523



Abbott Laboratories



Assay Description
ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...


J Med Chem 49: 6726-31 (2006)

More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14494
PNG
(6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1
Show InChI InChI=1S/C24H25N5O/c25-24-21(8-4-7-19-5-2-1-3-6-19)22(27-18-28-24)11-9-20-10-12-23(26-17-20)29-13-15-30-16-14-29/h1-3,5-6,10,12,17-18H,4,7-8,13-16H2,(H2,25,27,28)
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14493
PNG
(5-benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethy...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1
Show InChI InChI=1S/C22H21N5O/c23-22-19(14-17-4-2-1-3-5-17)20(25-16-26-22)8-6-18-7-9-21(24-15-18)27-10-12-28-13-11-27/h1-5,7,9,15-16H,10-14H2,(H2,23,25,26)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117154
PNG
(5-[3-(4-Methoxy-phenyl)-propyl]-6-(6-morpholin-4-y...)
Show SMILES COc1ccc(CCCc2c(N)ncnc2C#Cc2ccc(nc2)N2CCOCC2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-31-21-9-5-19(6-10-21)3-2-4-22-23(28-18-29-25(22)26)11-7-20-8-12-24(27-17-20)30-13-15-32-16-14-30/h5-6,8-10,12,17-18H,2-4,13-16H2,1H3,(H2,26,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117164
PNG
(5-[3-(3-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccc(Br)c1
Show InChI InChI=1S/C24H24BrN5O/c25-20-5-1-3-18(15-20)4-2-6-21-22(28-17-29-24(21)26)9-7-19-8-10-23(27-16-19)30-11-13-31-14-12-30/h1,3,5,8,10,15-17H,2,4,6,11-14H2,(H2,26,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens)
BDBM50117167
PNG
(5-(3-Bromo-benzyl)-6-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1cccc(Br)c1
Show InChI InChI=1S/C22H20BrN5O/c23-18-3-1-2-17(12-18)13-19-20(26-15-27-22(19)24)6-4-16-5-7-21(25-14-16)28-8-10-29-11-9-28/h1-3,5,7,12,14-15H,8-11,13H2,(H2,24,26,27)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Adenosine kinase in cycstolic assay


Bioorg Med Chem Lett 14: 4165-8 (2004)

More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117169
PNG
(5-[3-(4-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrN5O/c25-20-8-4-18(5-9-20)2-1-3-21-22(28-17-29-24(21)26)10-6-19-7-11-23(27-16-19)30-12-14-31-15-13-30/h4-5,7-9,11,16-17H,1-3,12-15H2,(H2,26,28,29)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117171
PNG
(6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyri...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccnc1
Show InChI InChI=1S/C23H24N6O/c24-23-20(5-1-3-18-4-2-10-25-15-18)21(27-17-28-23)8-6-19-7-9-22(26-16-19)29-11-13-30-14-12-29/h2,4,7,9-10,15-17H,1,3,5,11-14H2,(H2,24,27,28)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117175
PNG
(5-[3-(2-Chloro-phenyl)-propyl]-6-(6-morpholin-4-yl...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1Cl
Show InChI InChI=1S/C24H24ClN5O/c25-21-7-2-1-4-19(21)5-3-6-20-22(28-17-29-24(20)26)10-8-18-9-11-23(27-16-18)30-12-14-31-15-13-30/h1-2,4,7,9,11,16-17H,3,5-6,12-15H2,(H2,26,28,29)
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117167
PNG
(5-(3-Bromo-benzyl)-6-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1cccc(Br)c1
Show InChI InChI=1S/C22H20BrN5O/c23-18-3-1-2-17(12-18)13-19-20(26-15-27-22(19)24)6-4-16-5-7-21(25-14-16)28-8-10-29-11-9-28/h1-3,5,7,12,14-15H,8-11,13H2,(H2,24,26,27)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117176
PNG
(6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(4-phen...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCCc1ccccc1
Show InChI InChI=1S/C25H27N5O/c26-25-22(9-5-4-8-20-6-2-1-3-7-20)23(28-19-29-25)12-10-21-11-13-24(27-18-21)30-14-16-31-17-15-30/h1-3,6-7,11,13,18-19H,4-5,8-9,14-17H2,(H2,26,28,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117155
PNG
(6-(6-Morpholin-4-yl-pyridin-3-ylethynyl)-5-(3-pyri...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccncc1
Show InChI InChI=1S/C23H24N6O/c24-23-20(3-1-2-18-8-10-25-11-9-18)21(27-17-28-23)6-4-19-5-7-22(26-16-19)29-12-14-30-15-13-29/h5,7-11,16-17H,1-3,12-15H2,(H2,24,27,28)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair