Compile Data Set for Download or QSAR

Found 17 hits of kd for UniProtKB: P36639   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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))	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))	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))	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
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)
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))	BDBM50524490 (CHEMBL4561244) Show SMILES Nc1nc2c(ccnc2[nH]1)-c1ccncc1F Show InChI InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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
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)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50524491 (CHEMBL4446950) Show SMILES OCc1csc(n1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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))	BDBM50524488 (CHEMBL4589188) Show SMILES Nc1nc2ncccc2[nH]1 Show InChI InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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))	BDBM50524489 (CHEMBL4541864) Show SMILES Fc1cnccc1-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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))	BDBM50324898 (3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-...) Show SMILES Nc1nc2cc(Cl)ccc2n1CCCO Show InChI InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50524487 (CHEMBL1232596) Show SMILES Nc1nc2ccccc2nc1N1CCCC1 Show InChI InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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))	BDBM7960 (1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...) Show SMILES Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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))	BDBM50255614 (CHEMBL4087054) Show SMILES CCOC(=O)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.95E+4	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))	BDBM16223 (1H-pyrrolo[2,3-b]pyridine | 7-azaindole | compound...) Show SMILES c1cc2cccnc2[nH]1 Show InChI InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...				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