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PubMed code 16190769

Compile data set for download or QSAR
Found 23 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))		BDBM50174602
PNG
((4R,5R,6S)-5-[4-(4-Fluoro-phenylamino)-5-phenyl-py...)
Show SMILES O[C@@H]1[C@H](O)C2(CC2)O[C@H]1n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C24H21FN4O3/c25-15-6-8-16(9-7-15)28-21-18-17(14-4-2-1-3-5-14)12-29(22(18)27-13-26-21)23-19(30)20(31)24(32-23)10-11-24/h1-9,12-13,19-20,23,30-31H,10-11H2,(H,26,27,28)/t19-,20+,23-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134740
PNG
((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...)
Show SMILES OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/t17-,19+,20+,23+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090887
PNG
((1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrr...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O3/c1-14-19(28)20(29)23(30-14)27-12-17(15-8-4-2-5-9-15)18-21(24-13-25-22(18)27)26-16-10-6-3-7-11-16/h2-14,19-20,23,28-29H,1H3,(H,24,25,26)/t14-,19-,20-,23-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50090883
PNG
((1R,4S,5R)-2-Hydroxymethyl-5-(5-phenyl-4-phenylami...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O4/c28-12-17-19(29)20(30)23(31-17)27-11-16(14-7-3-1-4-8-14)18-21(24-13-25-22(18)27)26-15-9-5-2-6-10-15/h1-11,13,17,19-20,23,28-30H,12H2,(H,24,25,26)/t17-,19-,20-,23-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134753
PNG
((1R,4S,5R)-2-Methyl-5-(5-phenyl-4-phenylamino-pyrr...)
Show SMILES C[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C23H22N4O3/c1-14-19(28)20(29)23(30-14)27-12-17(15-8-4-2-5-9-15)18-21(24-13-25-22(18)27)26-16-10-6-3-7-11-16/h2-14,19-20,23,28-29H,1H3,(H,24,25,26)/t14-,19+,20+,23+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174603
PNG
((1R,2R,3R)-2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl...)
Show SMILES Cc1ccccc1-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc4OCCOc4c3)c12
Show InChI InChI=1S/C25H24N4O5/c1-14-4-2-3-5-16(14)17-11-29(25-22(31)18(30)12-34-25)24-21(17)23(26-13-27-24)28-15-6-7-19-20(10-15)33-9-8-32-19/h2-7,10-11,13,18,22,25,30-31H,8-9,12H2,1H3,(H,26,27,28)/t18-,22-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174594
PNG
((1R,2R,3R)-2-[4-(3-Ethoxy-phenylamino)-5-phenyl-py...)
Show SMILES CCOc1cccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2OC[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H24N4O4/c1-2-31-17-10-6-9-16(11-17)27-22-20-18(15-7-4-3-5-8-15)12-28(23(20)26-14-25-22)24-21(30)19(29)13-32-24/h3-12,14,19,21,24,29-30H,2,13H2,1H3,(H,25,26,27)/t19-,21-,24-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174591
PNG
(4-[7-((1R,2R,3R)-3,4-Dihydroxy-tetrahydro-furan-2-...)
Show SMILES CCOc1ccc(cc1)-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(cc3)C#N)c12
Show InChI InChI=1S/C25H23N5O4/c1-2-33-18-9-5-16(6-10-18)19-12-30(25-22(32)20(31)13-34-25)24-21(19)23(27-14-28-24)29-17-7-3-15(11-26)4-8-17/h3-10,12,14,20,22,25,31-32H,2,13H2,1H3,(H,27,28,29)/t20-,22-,25-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174599
PNG
((1R,2R,3R)-2-[4-(4-Ethoxy-phenylamino)-5-phenyl-py...)
Show SMILES CCOc1ccc(Nc2ncnc3n(cc(-c4ccccc4)c23)[C@@H]2OC[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C24H24N4O4/c1-2-31-17-10-8-16(9-11-17)27-22-20-18(15-6-4-3-5-7-15)12-28(23(20)26-14-25-22)24-21(30)19(29)13-32-24/h3-12,14,19,21,24,29-30H,2,13H2,1H3,(H,25,26,27)/t19-,21-,24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174593
PNG
((1R,2R,3R)-2-(5-Phenyl-4-phenylamino-pyrrolo[2,3-d...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C22H20N4O3/c27-17-12-29-22(19(17)28)26-11-16(14-7-3-1-4-8-14)18-20(23-13-24-21(18)26)25-15-9-5-2-6-10-15/h1-11,13,17,19,22,27-28H,12H2,(H,23,24,25)/t17-,19-,22-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174598
PNG
((1R,2R,3R)-2-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc4OCCOc4c3)ncnc12
Show InChI InChI=1S/C24H22N4O5/c29-17-12-33-24(21(17)30)28-11-16(14-4-2-1-3-5-14)20-22(25-13-26-23(20)28)27-15-6-7-18-19(10-15)32-9-8-31-18/h1-7,10-11,13,17,21,24,29-30H,8-9,12H2,(H,25,26,27)/t17-,21-,24-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174597
PNG
((1R,2R,3R)-2-[4-(4-Bromo-phenylamino)-5-phenyl-pyr...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(Br)cc3)ncnc12
Show InChI InChI=1S/C22H19BrN4O3/c23-14-6-8-15(9-7-14)26-20-18-16(13-4-2-1-3-5-13)10-27(21(18)25-12-24-20)22-19(29)17(28)11-30-22/h1-10,12,17,19,22,28-29H,11H2,(H,24,25,26)/t17-,19-,22-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174600
PNG
((1R,2R,3R)-2-[5-(4-Ethoxy-phenyl)-4-(2-methoxy-phe...)
Show SMILES CCOc1ccc(cc1)-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccccc3OC)c12
Show InChI InChI=1S/C25H26N4O5/c1-3-33-16-10-8-15(9-11-16)17-12-29(25-22(31)19(30)13-34-25)24-21(17)23(26-14-27-24)28-18-6-4-5-7-20(18)32-2/h4-12,14,19,22,25,30-31H,3,13H2,1-2H3,(H,26,27,28)/t19-,22-,25-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174592
PNG
((1R,2R,3R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1OC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11IN4O3/c11-4-1-15(10-7(17)5(16)2-18-10)9-6(4)8(12)13-3-14-9/h1,3,5,7,10,16-17H,2H2,(H2,12,13,14)/t5-,7-,10-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174596
PNG
((1R,2R,3R)-2-[4-(4-Fluoro-phenylamino)-5-phenyl-py...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H19FN4O3/c23-14-6-8-15(9-7-14)26-20-18-16(13-4-2-1-3-5-13)10-27(21(18)25-12-24-20)22-19(29)17(28)11-30-22/h1-10,12,17,19,22,28-29H,11H2,(H,24,25,26)/t17-,19-,22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174605
PNG
(4-[5-(4-Chloro-phenyl)-7-((1R,2R,3R)-3,4-dihydroxy...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cc(-c2ccc(Cl)cc2)c2c(Nc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C23H18ClN5O3/c24-15-5-3-14(4-6-15)17-10-29(23-20(31)18(30)11-32-23)22-19(17)21(26-12-27-22)28-16-7-1-13(9-25)2-8-16/h1-8,10,12,18,20,23,30-31H,11H2,(H,26,27,28)/t18-,20-,23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		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 |r|
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 9n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens (Human))		BDBM50174601
PNG
((1R,2R,3R)-2-[5-(3-Amino-phenyl)-4-(4-fluoro-pheny...)
Show SMILES Nc1cccc(c1)-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc(F)cc3)c12
Show InChI InChI=1S/C22H20FN5O3/c23-13-4-6-15(7-5-13)27-20-18-16(12-2-1-3-14(24)8-12)9-28(21(18)26-11-25-20)22-19(30)17(29)10-31-22/h1-9,11,17,19,22,29-30H,10,24H2,(H,25,26,27)/t17-,19-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50042349
PNG
(2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)C(O)C1O
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7?,8?,11-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134742
PNG
((1R,2R,3S)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7+,8+,11+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50134739
PNG
((1R,2R,3S)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimid...)
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+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174595
PNG
((4R,5R,6S)-5-(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1OC2(CC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H13IN4O3/c13-5-3-17(10-6(5)9(14)15-4-16-10)11-7(18)8(19)12(20-11)1-2-12/h3-4,7-8,11,18-19H,1-2H2,(H2,14,15,16)/t7-,8+,11-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))		BDBM50174604
PNG
((1R,4S,5R)-2,2-Dimethyl-5-(5-phenyl-4-phenylamino-...)
Show SMILES CC1(C)O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C24H24N4O3/c1-24(2)20(30)19(29)23(31-24)28-13-17(15-9-5-3-6-10-15)18-21(25-14-26-22(18)28)27-16-11-7-4-8-12-16/h3-14,19-20,23,29-30H,1-2H3,(H,25,26,27)/t19-,20+,23-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant adenosine kinase using [14C]-AMP as radioligand

J Med Chem 48: 6430-41 (2005)


Article DOI: 10.1021/jm0503650
BindingDB Entry DOI: 10.7270/Q2DV1JFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%