BindingDB PrimarySearch

Found 7 hits Enz. Inhib. hit(s) with Target = 'Oxidized purine nucleoside triphosphate hydrolase' and Ligand = 'BDBM50152125'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	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
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	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
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.900	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
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.60	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.10	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
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP ...				Eur J Med Chem 167: 153-160 (2019) Article DOI: 10.1016/j.ejmech.2019.02.011 BindingDB Entry DOI: 10.7270/Q20005CM
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)