Found 1122 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine kinase
(Homo sapiens (Human)) | BDBM50094702
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
MCE
KEGG
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PC sid
PDB
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| PubMed
| n/a | n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human adenosine kinase |
J Med Chem 43: 4781-6 (2000)
BindingDB Entry DOI: 10.7270/Q289154F |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50094702
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
KEGG
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Dissociation constant against adenosine kinase |
J Med Chem 47: 3463-82 (2004)
Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50078824
(2-Phenyl-1H-imidazole | CHEMBL14189 | US9138393, 2...)Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11) | PDB
MMDB
Reactome pathway
KEGG
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Patents
| PubMed
| n/a | n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human adenosine kinase |
J Med Chem 43: 4781-6 (2000)
BindingDB Entry DOI: 10.7270/Q289154F |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524390
(CHEMBL4475619)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
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| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
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PC sid
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| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524393
(CHEMBL4448092)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ccnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
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| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524392
(CHEMBL4475059)Show SMILES COc1ccc(cn1)-c1ccc(cc1)N1CCN(CC1)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524387
(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 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524388
(CHEMBL4449169)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)-c1ccc(cc1)C#Cc1ccccc1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524389
(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 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524394
(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 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524383
(CHEMBL4442160)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| 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 | PDB
MMDB
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DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
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| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524384
(CHEMBL4458246)Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccccc1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
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CHEMBL
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Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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| Article
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of adhenosine kinase |
Proc Natl Acad Sci USA 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
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
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| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524385
(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 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368712
(CHEMBL608051)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524386
(CHEMBL4474951)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)C#Cc1ccc(cc1)-c1ccccc1 |r| 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 | PDB
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| PDB
Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524391
(CHEMBL2042164)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1 |r| 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 | PDB
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| PDB
Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368710
(CHEMBL607761)Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| 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 | PDB
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Reactome pathway
KEGG
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| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368709
(CHEMBL607766)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O |r| 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 | PDB
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Reactome pathway
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368707
(CHEMBL612205)Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| 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 | PDB
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Reactome pathway
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50533828
(CHEMBL4570031)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) | PDB
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| Article
PubMed
| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50375654
(CHEMBL99203 | US11633415, Compound 5-iodotubercidi...)Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
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Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50614446
(CHEMBL5283680) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| | 232 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50368708
(CHEMBL611890)Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of human placental adenosine kinase |
J Med Chem 36: 3424-30 (1993)
BindingDB Entry DOI: 10.7270/Q2NG4R8J |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50524383
(CHEMBL4442160)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1cccc(CN2CCOCC2)c1 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Toxoplasma gondii) | BDBM50413747
(CHEMBL61741)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12 |r| 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 | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL61915)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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Patents
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| Article
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL59168)Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| 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 | PDB
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KEGG
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Similars
| Article
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12 |r| 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 | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL540448)Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| 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 | PDB
MMDB
KEGG
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UniChem
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| 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 | PDB
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PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Toxoplasma gondii) | BDBM50366955
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12 |r| 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 | PDB
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| Article
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |r| 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 | PDB
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL58072)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12 |r| 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 | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL61524)Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| 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 | PDB
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| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL59195)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12 |r| 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 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q20R9PZF |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Toxoplasma gondii) | BDBM50413751
(CHEMBL61773)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12 |r| 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 | PDB
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UniChem
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| Article
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL294755)Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| 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 | PDB
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| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL494210)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) | PDB
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| 5.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2TB1BDD |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50524391
(CHEMBL2042164)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccccc1 |r| 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 | PDB
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Reactome pathway
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| PC cid
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PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2028VZ7 |
More data for this
Ligand-Target Pair | |
Adenosine kinase
(Toxoplasma gondii) | BDBM50252013
(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 |r| 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 | PDB
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| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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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