Affinity Data by PubMed id=26898335

PubMed code 26898335

Found 22 hits of Enzyme Inhibition Constant Data
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))	BDBM50152127 (CHEMBL3780962) Show SMILES CN(CC(C)(C)C)c1nc(N)ncc1C Show InChI	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
MD Anderson Cancer Center Curated by ChEMBL					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	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
MD Anderson Cancer Center Curated by ChEMBL					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	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
MD Anderson Cancer Center Curated by ChEMBL					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	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152145 (CHEMBL3780032) Show SMILES Cc1cnc(N)nc1OCC(C)(C)CO Show InChI	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
MD Anderson Cancer Center Curated by ChEMBL					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	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	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))	BDBM50152126 (CHEMBL3780321) Show SMILES Cc1cnc(N)nc1CCC(C)(C)C Show InChI	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152131 (CHEMBL3781917) Show SMILES Cc1cnc(N)nc1NCC(C)(C)CO Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152138 (CHEMBL3781015) Show SMILES CC(C)(CO)COc1nc(N)nc2CCCc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152124 (CHEMBL3782004) Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
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))	BDBM50152139 (CHEMBL3780307) Show SMILES COc1cnc(N)nc1OCC(C)(C)CO Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
MD Anderson Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152124 (CHEMBL3782004) Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
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))	BDBM50152140 (CHEMBL3781296) Show SMILES CC(C)(CO)COc1nc(N)ncc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152143 (CHEMBL3781387) Show SMILES CC(C)(C)COc1ccnc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152132 (CHEMBL3781861) Show SMILES CC(C)(C)CNc1ccnc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152142 (CHEMBL3781493) Show SMILES Cc1cc(OCC(C)(C)C)nc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152134 (CHEMBL3781662) Show SMILES COCC(C)(C)CNc1ccnc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152141 (CHEMBL3780652) Show SMILES Cc1cc(OCC(C)(C)CO)nc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	302	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152136 (CHEMBL3781282) Show SMILES CC(C)(CO)CNc1ccnc(N)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152122 (CHEMBL3780535) Show SMILES Nc1nccc(OCC2(CO)CC2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of MTH1 in human U2OS cells assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate after 1 hr 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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152137 (CHEMBL3781267) Show SMILES Nc1nccc(NCCCO)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+3	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

* indicates data uncertainty>20%