BindingDB logo
myBDB logout

PubMed code 29485874

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255598
PNG
(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/an/a<0.100n/an/an/an/an/an/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))		BDBM50255581
PNG
(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/an/a<0.100n/an/an/an/an/an/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
PNG
(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/an/a<0.100n/an/an/an/an/an/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
PNG
(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/an/a<0.100n/an/an/an/an/an/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
PNG
(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/an/a 0.100n/an/an/an/an/an/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
PNG
(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/an/a 0.100n/an/an/an/an/an/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))		BDBM50255566
PNG
(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/an/a<0.100n/an/an/an/an/an/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
PNG
(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/an/a<0.100n/an/an/an/an/an/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
PNG
(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/an/a<0.100n/an/an/an/an/an/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))		BDBM50255583
PNG
(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/an/a 0.800n/an/an/an/an/an/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
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255623
PNG
(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/an/a 1n/an/an/an/an/an/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))		BDBM50255585
PNG
(CHEMBL4094381)
Show SMILES C1CN(C(CO1)c1ccccc1)c1ccnc2[nH]ncc12
Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/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))		BDBM50255584
PNG
(CHEMBL4089106)
Show SMILES COC(C)(C)C1CCCN1c1ccnc2[nH]ncc12
Show InChI InChI=1S/C14H20N4O/c1-14(2,19-3)12-5-4-8-18(12)11-6-7-15-13-10(11)9-16-17-13/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/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))		BDBM50255615
PNG
(CHEMBL4061204)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/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
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255617
PNG
(CHEMBL4095468)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]c(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C17H14ClN3O/c18-11-3-1-2-10(8-11)13-6-7-19-16-14(13)9-15(21-16)17(22)20-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,19,21)(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/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))		BDBM50255610
PNG
(CHEMBL4079884)
Show SMILES CNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN3O/c1-17-15(20)13-8-12-11(5-6-18-14(12)19-13)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,17,20)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/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))		BDBM50255618
PNG
(CHEMBL4104130)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/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
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255567
PNG
(CHEMBL4066892)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ncc12)c1cccnc1
Show InChI InChI=1S/C15H15N5/c1-3-11(9-16-6-1)13-4-2-8-20(13)14-5-7-17-15-12(14)10-18-19-15/h1,3,5-7,9-10,13H,2,4,8H2,(H,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/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))		BDBM50255604
PNG
(CHEMBL4093037)
Show SMILES C1CN(c2ccccc2O1)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C15H13N3O/c1-2-4-14-13(3-1)18(9-10-19-14)12-6-8-17-15-11(12)5-7-16-15/h1-8H,9-10H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/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))		BDBM50255620
PNG
(CHEMBL4083073)
Show SMILES C1Cc2ccccc2CN1c1ccnc2[nH]ccc12
Show InChI InChI=1S/C16H15N3/c1-2-4-13-11-19(10-7-12(13)3-1)15-6-9-18-16-14(15)5-8-17-16/h1-6,8-9H,7,10-11H2,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/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))		BDBM50255611
PNG
(CHEMBL4091375)
Show SMILES CNC(=O)c1cc2c(ccnc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C14H12N4O/c1-15-14(19)12-7-11-10(4-6-17-13(11)18-12)9-3-2-5-16-8-9/h2-8H,1H3,(H,15,19)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/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))		BDBM50255597
PNG
(CHEMBL4072600)
Show SMILES C1Cc2cccnc2N1c1ccnc2[nH]ccc12
Show InChI InChI=1S/C14H12N4/c1-2-10-5-9-18(14(10)17-6-1)12-4-8-16-13-11(12)3-7-15-13/h1-4,6-8H,5,9H2,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 300n/an/an/an/an/an/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))		BDBM50255596
PNG
(CHEMBL4065153)
Show SMILES C1CN(CC(O1)c1ccccc1)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C17H17N3O/c1-2-4-13(5-3-1)16-12-20(10-11-21-16)15-7-9-19-17-14(15)6-8-18-17/h1-9,16H,10-12H2,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 700n/an/an/an/an/an/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))		BDBM50255616
PNG
(CHEMBL4065372)
Show SMILES OCc1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O/c15-10-3-1-2-9(6-10)12-4-5-16-14-13(12)7-11(8-18)17-14/h1-7,18H,8H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/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))		BDBM50255612
PNG
(CHEMBL4070450)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C13H9ClN2/c14-10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/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))		BDBM50255613
PNG
(CHEMBL4074252)
Show SMILES c1cc2cc(cnc2[nH]1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C14H10N4/c1-4-15-13-9(1)7-10(8-18-13)11-2-5-16-14-12(11)3-6-17-14/h1-8H,(H,15,18)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/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))		BDBM50255609
PNG
(CHEMBL4069138)
Show SMILES CN(C)C(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3O/c1-20(2)16(21)14-9-13-12(6-7-18-15(13)19-14)10-4-3-5-11(17)8-10/h3-9H,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/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))		BDBM50255595
PNG
(CHEMBL4104536)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]ncc12
Show InChI InChI=1S/C12H8ClN3/c13-9-3-1-2-8(6-9)10-4-5-14-12-11(10)7-15-16-12/h1-7H,(H,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/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))		BDBM50255619
PNG
(CHEMBL4094752)
Show SMILES c1cc2c(ccnc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C12H9N3/c1-2-9(8-13-5-1)10-3-6-14-12-11(10)4-7-15-12/h1-8H,(H,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/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))		BDBM50255606
PNG
(CHEMBL4087765)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]c(cc12)C#N
Show InChI InChI=1S/C14H8ClN3/c15-10-3-1-2-9(6-10)12-4-5-17-14-13(12)7-11(8-16)18-14/h1-7H,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/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))		BDBM50255608
PNG
(CHEMBL4096390)
Show SMILES NC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3O/c15-9-3-1-2-8(6-9)10-4-5-17-14-11(10)7-12(18-14)13(16)19/h1-7H,(H2,16,19)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/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))		BDBM50255614
PNG
(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/an/a 9.90E+3n/an/an/an/an/an/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		3D
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255605
PNG
(CHEMBL4066444)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]c(cc12)-c1cnco1
Show InChI InChI=1S/C16H10ClN3O/c17-11-3-1-2-10(6-11)12-4-5-19-16-13(12)7-14(20-16)15-8-18-9-21-15/h1-9H,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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))		BDBM50255607
PNG
(CHEMBL4075035)
Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2/c1-9-7-13-12(5-6-16-14(13)17-9)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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
PNG
(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/an/an/an/a 2n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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))		BDBM50255567
PNG
(CHEMBL4066892)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ncc12)c1cccnc1
Show InChI InChI=1S/C15H15N5/c1-3-11(9-16-6-1)13-4-2-8-20(13)14-5-7-17-15-12(14)10-18-19-15/h1,3,5-7,9-10,13H,2,4,8H2,(H,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 251n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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))		BDBM50255566
PNG
(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/an/an/an/a 10n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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))		BDBM50152124
PNG
(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/an/an/an/a 126n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255581
PNG
(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/an/an/an/a 2n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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))		BDBM50255614
PNG
(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/an/an/a 4.95E+4n/an/an/an/an/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
3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM50255615
PNG
(CHEMBL4061204)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/an/an/a 63n/an/an/an/a



Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...

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
3D Structure (crystal)
* indicates data uncertainty>20%