Found 11 hits Enz. Inhib. hit(s) with Target = 'Oxidized purine nucleoside triphosphate hydrolase' and Ligand = 'BDBM50152124' 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 |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01760 BindingDB Entry DOI: 10.7270/Q2TB1BHR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
MD Anderson Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MTH1 assessed as hydrolysis of dGTP to dGMP and pyrophosphate after 15 mins by malachite green-based microplate reade... |
Bioorg Med Chem Lett 26: 1503-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.026 BindingDB Entry DOI: 10.7270/Q20K2BF6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zurich
Curated by ChEMBL
| Assay Description Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 min... |
Eur J Med Chem 175: 107-113 (2019)
Article DOI: 10.1016/j.ejmech.2019.04.037 BindingDB Entry DOI: 10.7270/Q2PN991Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using dGTP as substrate measured after 30 mins by mala... |
ACS Med Chem Lett 11: 358-364 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) in presence of dGTP and inorganic pyrophosphatase incubated for 15 mins ... |
Nat Rev Drug Discov 16: 424-440 (2017)
Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate |
J Med Chem 59: 2343-5 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00283 BindingDB Entry DOI: 10.7270/Q2VX0JDP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
MD Anderson Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay |
Bioorg Med Chem Lett 26: 1503-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.026 BindingDB Entry DOI: 10.7270/Q20K2BF6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo... |
ACS Med Chem Lett 11: 358-364 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant His-tagged MTH1 isoform p18 (M1 to V156 residues) (unknown origin) assessed as dissociation constant by surface plasm... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01760 BindingDB Entry DOI: 10.7270/Q2TB1BHR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.
Curated by ChEMBL
| Assay Description Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af... |
J Med Chem 61: 2533-2551 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01884 BindingDB Entry DOI: 10.7270/Q25D8V9Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxidized purine nucleoside triphosphate hydrolase
(Homo sapiens (Human)) | BDBM50152124
(CHEMBL3782004)Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to MTH1 in human K562 cells assessed as thermal stabilization preincubated for 30 mins followed by heating at 52 degree C for 3 mins... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01760 BindingDB Entry DOI: 10.7270/Q2TB1BHR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |