Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50011511   

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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM50548119 (CHEMBL4749068) Show SMILES CNC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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))	BDBM50152124 (CHEMBL3782004) Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl 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	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))	BDBM50548118 (CHEMBL4758926) Show SMILES CNC(=O)c1cnccc1Nc1ccc(Cl)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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))	BDBM50548107 (CHEMBL4799076) Show SMILES CN(C)CCc1ccc(cc1)-c1nc(N)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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))	BDBM50255420 (4-(4-chloro-2-fluorophenylamino)-6,7-dimethoxyquin...) Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC Show InChI InChI=1S/C18H15ClFN3O3/c1-25-15-6-10-14(7-16(15)26-2)22-8-11(18(21)24)17(10)23-13-4-3-9(19)5-12(13)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	BDBM50548112 (CHEMBL4791612) Show SMILES Nc1nc(-c2ccccc2)c2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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))	BDBM50352564 (CHEMBL1825141) Show SMILES C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	138	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))	BDBM50548122 (CHEMBL4743321) Show SMILES CNc1nc2OCC(=O)N(C)CCOc3cccc(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	140	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))	BDBM50548123 (CHEMBL4791011) Show SMILES CNc1nc2OCC(=O)NCCOc3cccc(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	153	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))	BDBM50548111 (CHEMBL4763327) Show SMILES CNc1nc(OCCOC)nc2n(Cc3ccccc3)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	536	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))	BDBM50240849 (1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-ami...) Show SMILES CC(C)Cn1cnc2c(N)nc3ccccc3c12 Show InChI InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	646	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))	BDBM50548120 (CHEMBL4747421) Show SMILES CNc1nc2OCCN(C)C(=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	888	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))	BDBM50548108 (CHEMBL4749745) Show SMILES COc1cc2ncc(C(=O)N(C)C)c(Nc3ccc(Cl)cc3F)c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50241029 (1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...) Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.06E+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))	BDBM50189516 (6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8(9H...) Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1 Show InChI InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.81E+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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548114 (CHEMBL4765130) Show SMILES CNc1nc(-c2ccccc2)c2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548116 (CHEMBL4759770) Show SMILES CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Oc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.75E+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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548113 (CHEMBL4782152) Show SMILES CN(C)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	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))	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	n/a	0.400	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))	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	n/a	0.5	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))	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	n/a	0.200	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548107 (CHEMBL4799076) Show SMILES CN(C)CCc1ccc(cc1)-c1nc(N)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3	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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50241029 (1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...) Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at TLR7 in human PBMC assessed as induction of IN-12 stimulation				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))	BDBM50352564 (CHEMBL1825141) Show SMILES C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	39	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))	BDBM50548111 (CHEMBL4763327) Show SMILES CNc1nc(OCCOC)nc2n(Cc3ccccc3)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	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)
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	n/a	n/a	9	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
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	n/a	n/a	3	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)
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	n/a	n/a	7	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)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548108 (CHEMBL4749745) Show SMILES COc1cc2ncc(C(=O)N(C)C)c(Nc3ccc(Cl)cc3F)c2cc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	950	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548107 (CHEMBL4799076) Show SMILES CN(C)CCc1ccc(cc1)-c1nc(N)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50152124 (CHEMBL3782004) Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl 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)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	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)
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	n/a	0.200	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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50548111 (CHEMBL4763327) Show SMILES CNc1nc(OCCOC)nc2n(Cc3ccccc3)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	440	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)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50548111 (CHEMBL4763327) Show SMILES CNc1nc(OCCOC)nc2n(Cc3ccccc3)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at TLR7 in human PBMC assessed as induction of IN-12 stimulation				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01760 BindingDB Entry DOI: 10.7270/Q2TB1BHR
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50189516 (6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8(9H...) Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1 Show InChI InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	944	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at TLR7 in human PBMC assessed as induction of IN-12 stimulation				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 SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl 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)