Compile Data Set for Download or QSAR

Found 228 hits Enz. Inhib. hit(s) with Target = 'Oxidized purine nucleoside triphosphate hydrolase'   

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))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				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))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				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))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0430	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))	BDBM50511431 (CHEMBL4468099) Show SMILES CNC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H22N4O/c1-11-6-4-7-13(12(11)2)17-14-8-5-9-20-15(14)10-16(21-17)22-18(23)19-3/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511430 (CHEMBL4455353) Show SMILES Cc1cccc(c1C)-c1nc(NC(N)=O)cc2NCCCc12 Show InChI InChI=1S/C17H20N4O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-19-14(13)9-15(20-16)21-17(18)22/h3,5-6,9,19H,4,7-8H2,1-2H3,(H3,18,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511453 (CHEMBL4451394) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C2CCC2)cc2NCCCc12 Show InChI InChI=1S/C21H25N3O/c1-13-6-3-9-16(14(13)2)20-17-10-5-11-22-18(17)12-19(23-20)24-21(25)15-7-4-8-15/h3,6,9,12,15,22H,4-5,7-8,10-11H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0500	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511452 (CHEMBL4570266) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C2CC2)cc2NCCCc12 Show InChI InChI=1S/C20H23N3O/c1-12-5-3-6-15(13(12)2)19-16-7-4-10-21-17(16)11-18(22-19)23-20(24)14-8-9-14/h3,5-6,11,14,21H,4,7-10H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548115 (CHEMBL4778773) Show SMILES CNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255566 (CHEMBL4094252) Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1 Show InChI InChI=1S/C20H21N5O2/c26-20(23-13-11-27-12-13)16-10-14-17(6-8-22-19(14)24-16)25-9-3-5-18(25)15-4-1-2-7-21-15/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,22,24)(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255598 (CHEMBL4064004) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1 Show InChI InChI=1S/C19H21N5O/c1-2-21-19(25)15-11-14-17(7-9-22-18(14)23-15)24-10-4-6-16(24)13-5-3-8-20-12-13/h3,5,7-9,11-12,16H,2,4,6,10H2,1H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255582 (CHEMBL4078783) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1c1ccccc1 Show InChI InChI=1S/C20H22N4O2/c1-2-21-20(25)16-12-15-17(8-9-22-19(15)23-16)24-10-11-26-13-18(24)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255568 (CHEMBL4091768) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccc1 Show InChI InChI=1S/C20H22N4O/c1-2-21-20(25)16-13-15-18(10-11-22-19(15)23-16)24-12-6-9-17(24)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255581 (CHEMBL4073623) Show SMILES O=C(NC1CC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1 Show InChI InChI=1S/C20H21N5O/c26-20(23-13-6-7-13)16-12-14-17(8-10-22-19(14)24-16)25-11-3-5-18(25)15-4-1-2-9-21-15/h1-2,4,8-10,12-13,18H,3,5-7,11H2,(H,22,24)(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255624 (CHEMBL4101983) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1 Show InChI InChI=1S/C19H21N5O/c1-2-20-19(25)15-12-13-16(8-10-22-18(13)23-15)24-11-5-7-17(24)14-6-3-4-9-21-14/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3,(H,20,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255622 (CHEMBL4067896) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1C(C)(C)OC Show InChI InChI=1S/C18H26N4O2/c1-5-19-17(23)13-11-12-14(8-9-20-16(12)21-13)22-10-6-7-15(22)18(2,3)24-4/h8-9,11,15H,5-7,10H2,1-4H3,(H,19,23)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255603 (CHEMBL4083992) Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1 Show InChI InChI=1S/C20H21N5O2/c26-20(23-14-11-27-12-14)16-9-15-18(5-7-22-19(15)24-16)25-8-2-4-17(25)13-3-1-6-21-10-13/h1,3,5-7,9-10,14,17H,2,4,8,11-12H2,(H,22,24)(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255621 (CHEMBL4070624) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1C1CC1 Show InChI InChI=1S/C17H22N4O2/c1-2-18-17(22)13-9-12-14(5-6-19-16(12)20-13)21-7-8-23-10-15(21)11-3-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511454 (CHEMBL4460228) Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C(F)F)cc2NCCCc12 Show InChI InChI=1S/C18H19F2N3O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-21-14(13)9-15(22-16)23-18(24)17(19)20/h3,5-6,9,17,21H,4,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511432 (CHEMBL4435945) Show SMILES COC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O2/c1-11-6-4-7-13(12(11)2)17-14-8-5-9-19-15(14)10-16(20-17)21-18(22)23-3/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511466 (CHEMBL4529335) Show SMILES CCC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C19H23N3O/c1-4-18(23)21-17-11-16-15(9-6-10-20-16)19(22-17)14-8-5-7-12(2)13(14)3/h5,7-8,11,20H,4,6,9-10H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152144 (CHEMBL3781661) Show SMILES Cc1cnc(N)nc1OCC(C)(C)C Show InChI InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152127 (CHEMBL3780962) Show SMILES CN(CC(C)(C)C)c1nc(N)ncc1C Show InChI InChI=1S/C11H20N4/c1-8-6-13-10(12)14-9(8)15(5)7-11(2,3)4/h6H,7H2,1-5H3,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152144 (CHEMBL3781661) Show SMILES Cc1cnc(N)nc1OCC(C)(C)C Show InChI InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548110 (CHEMBL4747532) Show SMILES CNc1nc2OCCCCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511448 (CHEMBL4460446) Show SMILES CNc1cc(NC(C)=O)nc(c1)-c1cccc(C)c1C Show InChI InChI=1S/C16H19N3O/c1-10-6-5-7-14(11(10)2)15-8-13(17-4)9-16(19-15)18-12(3)20/h5-9H,1-4H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511428 (CHEMBL4435983) Show SMILES CNc1cc(nc(N)n1)N(C)[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C14H19N5/c1-10(11-7-5-4-6-8-11)19(3)13-9-12(16-2)17-14(15)18-13/h4-10H,1-3H3,(H3,15,16,17,18)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162075 (CHEMBL3794167) Show SMILES CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	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))	BDBM50162074 (CHEMBL3792684) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1 Show InChI InChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162074 (CHEMBL3792684) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1 Show InChI InChI=1S/C19H19N3O3/c1-20-19(23)14-11-21-15-10-17(25-3)16(24-2)9-13(15)18(14)22-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548117 (CHEMBL4776026) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1CCS(C)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152129 (CHEMBL3780596) Show SMILES CN(CC(C)(C)CO)c1nc(N)ncc1C Show InChI InChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant 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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152130 (CHEMBL3780613) Show SMILES Cc1cnc(N)nc1NCC(C)(C)C Show InChI InChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant 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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50162075 (CHEMBL3794167) Show SMILES CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	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))	BDBM50152145 (CHEMBL3780032) Show SMILES Cc1cnc(N)nc1OCC(C)(C)CO Show InChI InChI=1S/C10H17N3O2/c1-7-4-12-9(11)13-8(7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511463 (CHEMBL4577002) Show SMILES CC(C)C(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C20H25N3O/c1-12(2)20(24)23-18-11-17-16(9-6-10-21-17)19(22-18)15-8-5-7-13(3)14(15)4/h5,7-8,11-12,21H,6,9-10H2,1-4H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.610	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511457 (CHEMBL4537820) Show SMILES CNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1 |r| Show InChI InChI=1S/C13H16N4O/c1-9(10-6-4-3-5-7-10)18-12-8-11(15-2)16-13(14)17-12/h3-9H,1-2H3,(H3,14,15,16,17)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511439 (CHEMBL4565830) Show SMILES CNc1cc(nc(N)n1)N1CCCCC1 Show InChI InChI=1S/C10H17N5/c1-12-8-7-9(14-10(11)13-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H3,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 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))	BDBM50548124 (CHEMBL4784602) Show SMILES CNc1nc2OCCCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	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
					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 InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50255583 (CHEMBL4096813) Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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))	BDBM50511458 (CHEMBL4534555) Show SMILES CNc1cc(nc(N)n1)N1CCc2ccccc2C1 Show InChI InChI=1S/C14H17N5/c1-16-12-8-13(18-14(15)17-12)19-7-6-10-4-2-3-5-11(10)9-19/h2-5,8H,6-7,9H2,1H3,(H3,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548109 (CHEMBL4783492) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
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))	BDBM50255623 (CHEMBL4072758) Show SMILES C1CC(N(C1)c1ccnc2[nH]ncc12)c1ccccc1 Show InChI InChI=1S/C16H16N4/c1-2-5-12(6-3-1)14-7-4-10-20(14)15-8-9-17-16-13(15)11-18-19-16/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden. Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511441 (CHEMBL4464305) Show SMILES CNc1cc(nc(N)n1)N1CCCc2ccccc12 Show InChI InChI=1S/C14H17N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-6-10-5-2-3-7-11(10)19/h2-3,5,7,9H,4,6,8H2,1H3,(H3,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548121 (CHEMBL4754128) Show SMILES CNc1nc2OCCNC(=O)COc3cccc(Cn4c(n2)c1[nH]c4=O)c3 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152125 (CHEMBL3781316) Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152126 (CHEMBL3780321) Show SMILES Cc1cnc(N)nc1CCC(C)(C)C Show InChI InChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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

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