Found 21 hits for monomerid = 50375654 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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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 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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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 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Rattus norvegicus (rat)) | BDBM50375654
(CHEMBL99203)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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| 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 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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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 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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| Article PubMed
| 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)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
UniProtKB/SwissProt
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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 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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| 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
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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| PDB 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 530 | 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 ERK2 |
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 | 3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Inhibition of human adenosine kinase assessed as reduction in conversion of adenosine to AMP |
J Med Chem 59: 6860-77 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00689 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) |
J Med Chem 63: 2958-2973 (2020)
|
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Inhibition of human adenosine kinase assessed as effect on reduced nicotinamide-adenine dinculeotide appearance using inosine as substrate in presenc... |
J Med Chem 59: 6860-77 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00689 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method |
Bioorg Med Chem Lett 26: 4518-4522 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.041 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine kinase
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.20E+3 | 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 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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| Article
| n/a | n/a | 2.60E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of adenosine kinase (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-004-0048-0 BindingDB Entry DOI: 10.7270/Q2XG9V11 |
More data for this Ligand-Target Pair | |
Equilibrative Nucleoside Transporter 1 (ENT1)
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Binding affinity to ENT1 transporter |
Bioorg Med Chem 16: 3848-65 (2008)
Article DOI: 10.1016/j.bmc.2008.01.044 BindingDB Entry DOI: 10.7270/Q2GM8866 |
More data for this Ligand-Target Pair | |
Adenosine kinase
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of the adenosine kinase (AK) activity. |
Bioorg Med Chem Lett 14: 3077-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.040 BindingDB Entry DOI: 10.7270/Q2CZ38BM |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst... |
Bioorg Med Chem 21: 1787-94 (2013)
Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
UniProtKB/SwissProt
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Similars
| PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) |
J Med Chem 63: 2958-2973 (2020)
|
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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Similars
| MMDB PDB PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka Prefecture University
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) by ELISA |
Bioorg Med Chem Lett 26: 955-8 (2016)
BindingDB Entry DOI: 10.7270/Q24J0GZQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50375654
(CHEMBL99203)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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| PDB Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor |
J Med Chem 56: 8972-83 (2013)
Article DOI: 10.1021/jm4007752 BindingDB Entry DOI: 10.7270/Q2D50PDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |