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Compile Data Set for Download or QSAR

Found 1119 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524390
PNG
(CHEMBL4475619)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H28N6O4/c33-14-20-22(34)23(35)26(36-20)32-16-29-21-24(27-15-28-25(21)32)31-12-10-30(11-13-31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,15-16,20,22-23,26,33-35H,10-14H2/t20-,22-,23-,26-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain cytosolic Adk using [2-3H]adenosine incubated for 15 mins by scintillation spectrometry


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524393
PNG
(CHEMBL4448092)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O4/c33-16-22-24(34)25(35)27(36-22)32-17-29-23-21(10-11-28-26(23)32)31-14-12-30(13-15-31)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-11,17,22,24-25,27,33-35H,12-16H2/t22-,24-,25-,27-/m1/s1
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16n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Rattus norvegicus (rat))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat brain ADK expressed in Escherichia coli


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524392
PNG
(CHEMBL4475059)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H29N7O5/c1-37-20-7-4-17(12-27-20)16-2-5-18(6-3-16)31-8-10-32(11-9-31)24-21-25(29-14-28-24)33(15-30-21)26-23(36)22(35)19(13-34)38-26/h2-7,12,14-15,19,22-23,26,34-36H,8-11,13H2,1H3/t19-,22-,23-,26-/m1/s1
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19n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524387
PNG
(CHEMBL4566815)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C29H34N6O5/c1-29(2,39)20-7-3-18(4-8-20)19-5-9-21(10-6-19)33-11-13-34(14-12-33)26-23-27(31-16-30-26)35(17-32-23)28-25(38)24(37)22(15-36)40-28/h3-10,16-17,22,24-25,28,36-39H,11-15H2,1-2H3/t22-,24-,25-,28-/m1/s1
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19n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524388
PNG
(CHEMBL4449169)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C24H20N4O4/c29-12-18-21(30)22(31)24(32-18)28-14-27-20-19(25-13-26-23(20)28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,18,21-22,24,29-31H,12H2/t18-,21-,22-,24-/m1/s1
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20n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524389
PNG
(CHEMBL4525944)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N6O4/c28-27(29,30)18-5-1-16(2-6-18)17-3-7-19(8-4-17)34-9-11-35(12-10-34)24-21-25(32-14-31-24)36(15-33-21)26-23(39)22(38)20(13-37)40-26/h1-8,14-15,20,22-23,26,37-39H,9-13H2/t20-,22-,23-,26-/m1/s1
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21n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524394
PNG
(CHEMBL4539148)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cnn(c1)C(F)F
Show InChI InChI=1S/C24H26F2N8O4/c25-24(26)34-10-15(9-30-34)14-1-3-16(4-2-14)31-5-7-32(8-6-31)21-18-22(28-12-27-21)33(13-29-18)23-20(37)19(36)17(11-35)38-23/h1-4,9-10,12-13,17,19-20,23-24,35-37H,5-8,11H2/t17-,19-,20-,23-/m1/s1
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23n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524383
PNG
(CHEMBL4442160)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1
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26n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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26n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Adk using [U-14C]adenosine by liquid scintillation counting method


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524384
PNG
(CHEMBL4458246)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H30N6O3/c34-15-20-14-22(25(36)24(20)35)33-17-30-23-26(28-16-29-27(23)33)32-12-10-31(11-13-32)21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,16-17,20,22,24-25,34-36H,10-15H2/t20-,22-,24-,25+/m1/s1
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28n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of adhenosine kinase


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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30n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of purified human adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deaminase inhibitor deoxycoformyc...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524385
PNG
(CHEMBL4463459)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H26F3N7O4/c27-26(28,29)19-6-3-16(11-30-19)15-1-4-17(5-2-15)34-7-9-35(10-8-34)23-20-24(32-13-31-23)36(14-33-20)25-22(39)21(38)18(12-37)40-25/h1-6,11,13-14,18,21-22,25,37-39H,7-10,12H2/t18-,21-,22-,25-/m1/s1
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33n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368712
PNG
(CHEMBL608051)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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40n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524386
PNG
(CHEMBL4474951)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)C#Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H20N4O4/c29-12-19-21(30)22(31)24(32-19)28-14-27-20-18(25-13-26-23(20)28)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-7,9-10,13-14,19,21-22,24,29-31H,12H2/t19-,21-,22-,24-/m1/s1
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48n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50524391
PNG
(CHEMBL2042164)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1
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120n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens (Human))
BDBM50368710
PNG
(CHEMBL607761)
Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12
Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368709
PNG
(CHEMBL607766)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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160n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50368707
PNG
(CHEMBL612205)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12
Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1
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170n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50533828
PNG
(CHEMBL4570031)
Show SMILES Sc1nnc2c3c4CCCCc4sc3n3c(S)nnc3n12
Show InChI InChI=1S/C12H10N6S3/c19-11-15-13-8-7-5-3-1-2-4-6(5)21-9(7)18-10(17(8)11)14-16-12(18)20/h1-4H2,(H,15,19)(H,16,20)
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184n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50375654
PNG
(CHEMBL99203)
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-/m1/s1
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210n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Ra ATCC 25177 adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deam...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens (Human))
BDBM50368708
PNG
(CHEMBL611890)
Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1
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300n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human placental adenosine kinase


J Med Chem 36: 3424-30 (1993)


Article DOI: 10.1021/jm00074a024
BindingDB Entry DOI: 10.7270/Q2NG4R8J
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50524383
PNG
(CHEMBL4442160)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C31H37N7O5/c39-18-25-27(40)28(41)31(43-25)38-20-34-26-29(32-19-33-30(26)38)37-10-8-36(9-11-37)24-6-4-22(5-7-24)23-3-1-2-21(16-23)17-35-12-14-42-15-13-35/h1-7,16,19-20,25,27-28,31,39-41H,8-15,17-18H2/t25-,27-,28-,31-/m1/s1
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410n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413747
PNG
(CHEMBL61741)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(10(19)3-9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413740
PNG
(CHEMBL61915)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/m1/s1
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900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366949
PNG
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366950
PNG
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412038
PNG
(CHEMBL540448)
Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N4O4S/c1-10-4-2-3-5-11(10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50524385
PNG
(CHEMBL4463459)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H26F3N7O4/c27-26(28,29)19-6-3-16(11-30-19)15-1-4-17(5-2-15)34-7-9-35(10-8-34)23-20-24(32-13-31-23)36(14-33-20)25-22(39)21(38)18(12-37)40-25/h1-6,11,13-14,18,21-22,25,37-39H,7-10,12H2/t18-,21-,22-,25-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366955
PNG
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50240561
PNG
((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2/t11-,13-,14-,17-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413748
PNG
(CHEMBL58072)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(3-10(9)19)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413743
PNG
(CHEMBL61524)
Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O5S/c1-26-11-4-2-10(3-5-11)7-28-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)27-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413742
PNG
(CHEMBL59195)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C18H17F3N4O4S/c19-18(20,21)10-3-1-2-9(4-10)6-30-16-12-15(22-7-23-16)25(8-24-12)17-14(28)13(27)11(5-26)29-17/h1-4,7-8,11,13-14,17,26-28H,5-6H2/t11-,13-,14-,17-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50100587
PNG
((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...)
Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Nucleic Acid Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM)


J Med Chem 31: 786-90 (1988)

Checked by Author
Article DOI: 10.1021/jm00399a017
BindingDB Entry DOI: 10.7270/Q20R9PZF
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50413751
PNG
(CHEMBL61773)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-2-1-3-10(4-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412062
PNG
(CHEMBL294755)
Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H20N4O4S/c1-10-2-4-11(5-3-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50533823
PNG
(CHEMBL494210)
Show SMILES S=c1[nH]nc2c3c4CCCCc4sc3nc(-c3ccccc3)n12
Show InChI InChI=1S/C17H14N4S2/c22-17-20-19-15-13-11-8-4-5-9-12(11)23-16(13)18-14(21(15)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,20,22)
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5.04E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50524391
PNG
(CHEMBL2042164)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...


J Med Chem 62: 4483-4499 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00020
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252013
PNG
(4-[(4-Cyanobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C19H18N4O4S/c20-7-11-1-3-12(4-2-11)9-28-18-13-5-6-23(17(13)21-10-22-18)19-16(26)15(25)14(8-24)27-19/h1-6,10,14-16,19,24-26H,8-9H2/t14-,15-,16-,19-/m1/s1
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5.20E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50533825
PNG
(CHEMBL4460819)
Show SMILES CC1CCc2sc3nc(NCc4ccccc4)n4c(S)nnc4c3c2C1
Show InChI InChI=1S/C19H19N5S2/c1-11-7-8-14-13(9-11)15-16-22-23-19(25)24(16)18(21-17(15)26-14)20-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,20,21)(H,23,25)
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5.44E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50533832
PNG
(CHEMBL4524434)
Show SMILES Sc1nnc2c3c(nc(-c4ccccc4Cl)n12)sc1ccccc31
Show InChI InChI=1S/C17H9ClN4S2/c18-11-7-3-1-5-9(11)14-19-16-13(15-20-21-17(23)22(14)15)10-6-2-4-8-12(10)24-16/h1-8H,(H,21,23)
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5.64E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins f...


Bioorg Med Chem 24: 5127-5133 (2016)


Article DOI: 10.1016/j.bmc.2016.08.026
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252067
PNG
(4-[(4-Methoxybenzyl)thio]-7-(beta-D-ribofuranosyl)...)
Show SMILES COc1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H21N3O5S/c1-26-12-4-2-11(3-5-12)9-28-18-13-6-7-22(17(13)20-10-21-18)19-16(25)15(24)14(8-23)27-19/h2-7,10,14-16,19,23-25H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50252014
PNG
(4-[(4-Methoxycarbonylbenzyl)thio]-7-(beta-D-ribofu...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H21N3O6S/c1-28-20(27)12-4-2-11(3-5-12)9-30-18-13-6-7-23(17(13)21-10-22-18)19-16(26)15(25)14(8-24)29-19/h2-7,10,14-16,19,24-26H,8-9H2,1H3/t14-,15-,16-,19-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair
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