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Compile Data Set for Download or QSAR

Found 8 hits of ph data with Target = 'Adenosine Kinase (AK)'   
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 (AK)


(Rattus norvegicus (rat))
BDBM14486
PNG
((2R,3R,4S,5R)-2-(2-amino-9-iodo-3,5,7-triazabicycl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
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n/an/a 0.900n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14488
PNG
(5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...)
Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)
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n/an/a 68n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14489
PNG
(6-{2-[4-(dimethylamino)phenyl]ethynyl}-5-phenylpyr...)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-24(2)17-11-8-15(9-12-17)10-13-18-19(20(21)23-14-22-18)16-6-4-3-5-7-16/h3-9,11-12,14H,1-2H3,(H2,21,22,23)
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n/an/a 20n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14491
PNG
(5-(2H-1,3-benzodioxol-5-yl)-6-{2-[4-(dimethylamino...)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H18N4O2/c1-25(2)16-7-3-14(4-8-16)5-9-17-20(21(22)24-12-23-17)15-6-10-18-19(11-15)27-13-26-18/h3-4,6-8,10-12H,13H2,1-2H3,(H2,22,23,24)
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n/an/a 9n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14492
PNG
(6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrim...)
Show SMILES Nc1cc(ncn1)C#Cc1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C15H15N5O/c16-14-9-13(18-11-19-14)3-1-12-2-4-15(17-10-12)20-5-7-21-8-6-20/h2,4,9-11H,5-8H2,(H2,16,18,19)
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n/an/a 120n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
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/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM14490
PNG
(6-{2-[4-(dimethylamino)phenyl]ethynyl}-2-methyl-5-...)
Show SMILES CN(C)c1ccc(cc1)C#Cc1nc(C)nc(N)c1-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-15-23-19(14-11-16-9-12-18(13-10-16)25(2)3)20(21(22)24-15)17-7-5-4-6-8-17/h4-10,12-13H,1-3H3,(H2,22,23,24)
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2QC01R6
More data for this
Ligand-Target Pair