Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'sigmundsson' and Initial = 'k'   

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
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239529 (CHEMBL4072033) Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1cccs1 Show InChI InChI=1S/C21H22ClN5O3S2/c1-15-17(22)5-2-6-19(15)32(29,30)27-11-9-26(10-12-27)20-8-7-18(24-25-20)21(28)23-14-16-4-3-13-31-16/h2-8,13H,9-12,14H2,1H3,(H,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150038 (CHEMBL3771346) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13Cl2N3O2/c1-9-3-5-11(6-4-9)8-20-10(2)19-15-13(20)7-12(17)14(18)16(15)21(22)23/h3-7H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150044 (CHEMBL3771039) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(O)cc1)[N+]([O-])=O Show InChI InChI=1S/C15H11Cl2N3O3/c1-8-18-14-12(6-11(16)13(17)15(14)20(22)23)19(8)7-9-2-4-10(21)5-3-9/h2-6,21H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239517 (CHEMBL4082508) Show SMILES Fc1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)S(=O)(=O)c2cccnc2Cl)cc1 Show InChI InChI=1S/C21H20ClFN6O3S/c22-20-18(2-1-9-24-20)33(31,32)29-12-10-28(11-13-29)19-8-7-17(26-27-19)21(30)25-14-15-3-5-16(23)6-4-15/h1-9H,10-14H2,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150112 (CHEMBL3769835) Show SMILES OB(O)c1ccc(Cn2c(nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)C2CC2)cc1 Show InChI InChI=1S/C17H14BCl2N3O4/c19-12-7-13-15(16(14(12)20)23(26)27)21-17(10-3-4-10)22(13)8-9-1-5-11(6-2-9)18(24)25/h1-2,5-7,10,24-25H,3-4,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150043 (CHEMBL3769727) Show SMILES CC(=O)Oc1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H13Cl2N3O4/c1-9-20-16-14(7-13(18)15(19)17(16)22(24)25)21(9)8-11-3-5-12(6-4-11)26-10(2)23/h3-7H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239516 (CHEMBL4060634) Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCC#C Show InChI InChI=1S/C19H20ClN5O3S/c1-3-9-21-19(26)16-7-8-18(23-22-16)24-10-12-25(13-11-24)29(27,28)17-6-4-5-15(20)14(17)2/h1,4-8H,9-13H2,2H3,(H,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239518 (CHEMBL4075978) Show SMILES Cc1ncccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C22H23FN6O3S/c1-16-20(3-2-10-24-16)33(31,32)29-13-11-28(12-14-29)21-9-8-19(26-27-21)22(30)25-15-17-4-6-18(23)7-5-17/h2-10H,11-15H2,1H3,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239530 (CHEMBL4101470) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H24N4O4S/c1-18-7-5-6-10-21(18)32(29,30)27-15-13-26(14-16-27)22-12-11-20(24-25-22)23(28)31-17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150036 (CHEMBL3771227) Show SMILES COc1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H13Cl2N3O3/c1-9-19-15-13(7-12(17)14(18)16(15)21(22)23)20(9)8-10-3-5-11(24-2)6-4-10/h3-7H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239519 (CHEMBL4091797) Show SMILES OC1CCN(CC1)c1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)OCC#C Show InChI InChI=1S/C23H27N5O5S/c1-2-17-33-23(30)19-7-8-22(25-24-19)27-13-15-28(16-14-27)34(31,32)21-6-4-3-5-20(21)26-11-9-18(29)10-12-26/h1,3-8,18,29H,9-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150051 (CHEMBL3770446) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1cccc(c1)B(O)O)[N+]([O-])=O Show InChI InChI=1S/C15H12BCl2N3O4/c1-8-19-14-12(6-11(17)13(18)15(14)21(24)25)20(8)7-9-3-2-4-10(5-9)16(22)23/h2-6,22-23H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150040 (CHEMBL3771237) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(cc1)B(O)O)[N+]([O-])=O Show InChI InChI=1S/C15H12BCl2N3O4/c1-8-19-14-12(6-11(17)13(18)15(14)21(24)25)20(8)7-9-2-4-10(5-3-9)16(22)23/h2-6,22-23H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150052 (CHEMBL3771105) Show SMILES CN1CC(=O)OB(OC(=O)C1)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C20H17BCl2N4O6/c1-11-24-19-15(7-14(22)18(23)20(19)27(30)31)26(11)8-12-3-5-13(6-4-12)21-32-16(28)9-25(2)10-17(29)33-21/h3-7H,8-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150035 (CHEMBL3769687) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C15H11Cl2N3O2/c1-9-18-14-12(7-11(16)13(17)15(14)20(21)22)19(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239514 (CHEMBL4098065) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1cccs1 Show InChI InChI=1S/C21H23N5O3S2/c1-16-5-2-3-7-19(16)31(28,29)26-12-10-25(11-13-26)20-9-8-18(23-24-20)21(27)22-15-17-6-4-14-30-17/h2-9,14H,10-13,15H2,1H3,(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150026 (CHEMBL3771138) Show SMILES COc1ccc(Cn2c(C)nc3c(c(C)c(C)cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H19N3O3/c1-11-9-16-17(18(12(11)2)21(22)23)19-13(3)20(16)10-14-5-7-15(24-4)8-6-14/h5-9H,10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239515 (CHEMBL4061657) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5O3S/c1-17-4-2-3-5-21(17)33(31,32)29-14-12-28(13-15-29)22-11-10-20(26-27-22)23(30)25-16-18-6-8-19(24)9-7-18/h2-11H,12-16H2,1H3,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150039 (CHEMBL3769653) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(O)=O)[N+]([O-])=O Show InChI InChI=1S/C16H11Cl2N3O4/c1-8-19-14-12(6-11(17)13(18)15(14)21(24)25)20(8)7-9-2-4-10(5-3-9)16(22)23/h2-6H,7H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150114 (CHEMBL3770789) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1S(=O)(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N3O4S/c1-8-17-13-11(7-10(15)12(16)14(13)19(20)21)18(8)24(22,23)9-5-3-2-4-6-9/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150049 (CHEMBL3770659) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(cc1)-n1cccn1)[N+]([O-])=O Show InChI InChI=1S/C18H13Cl2N5O2/c1-11-22-17-15(9-14(19)16(20)18(17)25(26)27)23(11)10-12-3-5-13(6-4-12)24-8-2-7-21-24/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150050 (CHEMBL3770096) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccccc1B(O)O)[N+]([O-])=O Show InChI InChI=1S/C15H12BCl2N3O4/c1-8-19-14-12(6-11(17)13(18)15(14)21(24)25)20(8)7-9-4-2-3-5-10(9)16(22)23/h2-6,22-23H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150053 (CHEMBL3770930) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl2N3O2/c1-8-17-13-11(18(8)9-5-3-2-4-6-9)7-10(15)12(16)14(13)19(20)21/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150041 (CHEMBL3770808) Show SMILES COC(=O)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H13Cl2N3O4/c1-9-20-15-13(7-12(18)14(19)16(15)22(24)25)21(9)8-10-3-5-11(6-4-10)17(23)26-2/h3-7H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150115 (CHEMBL3770403) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1C(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C15H9Cl2N3O3/c1-8-18-13-11(7-10(16)12(17)14(13)20(22)23)19(8)15(21)9-5-3-2-4-6-9/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150042 (CHEMBL3770193) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(C=O)cc1)[N+]([O-])=O Show InChI InChI=1S/C16H11Cl2N3O3/c1-9-19-15-13(6-12(17)14(18)16(15)21(23)24)20(9)7-10-2-4-11(8-22)5-3-10/h2-6,8H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150037 (CHEMBL3770701) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C16H10Cl2N4O2/c1-9-20-15-13(6-12(17)14(18)16(15)22(23)24)21(9)8-11-4-2-10(7-19)3-5-11/h2-6H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239511 (CHEMBL4065129) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H25N5O3S/c1-18-7-5-6-10-21(18)32(30,31)28-15-13-27(14-16-28)22-12-11-20(25-26-22)23(29)24-17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150046 (CHEMBL3770766) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(Cl)nc1)[N+]([O-])=O Show InChI InChI=1S/C14H9Cl3N4O2/c1-7-19-13-10(4-9(15)12(17)14(13)21(22)23)20(7)6-8-2-3-11(16)18-5-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260234 (CHEMBL4060941) Show SMILES CCCc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H18ClN3O/c1-4-5-14-10(2)19-16-15(11(3)20-21(16)17(14)22)12-6-8-13(18)9-7-12/h6-9,19H,4-5H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapted malachite green assay				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150047 (CHEMBL3770307) Show SMILES Cc1n[nH]c(C)c1CCn1c(C)nc2c(c(Cl)c(Cl)cc12)[N+]([O-])=O Show InChI InChI=1S/C15H15Cl2N5O2/c1-7-10(8(2)20-19-7)4-5-21-9(3)18-14-12(21)6-11(16)13(17)15(14)22(23)24/h6H,4-5H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260217 (CHEMBL4062129) Show SMILES Cc1c(C)n2c(nc3n(C)c(=O)[nH]c(=O)c23)n1Cc1ccc(C)cc1 Show InChI InChI=1S/C18H19N5O2/c1-10-5-7-13(8-6-10)9-22-11(2)12(3)23-14-15(19-17(22)23)21(4)18(25)20-16(14)24/h5-8H,9H2,1-4H3,(H,20,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150117 (CHEMBL3771117) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1CCc1ccc(cc1)B(O)O)[N+]([O-])=O Show InChI InChI=1S/C16H14BCl2N3O4/c1-9-20-15-13(8-12(18)14(19)16(15)22(25)26)21(9)7-6-10-2-4-11(5-3-10)17(23)24/h2-5,8,23-24H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150113 (CHEMBL3771148) Show SMILES OB(O)c1ccc(Cn2c(nc3c(cccc23)[N+]([O-])=O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H11BF3N3O4/c17-15(18,19)14-20-13-11(2-1-3-12(13)22(25)26)21(14)8-9-4-6-10(7-5-9)16(23)24/h1-7,23-24H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150045 (CHEMBL3770961) Show SMILES Cc1nc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cs1 Show InChI InChI=1S/C13H10Cl2N4O2S/c1-6-16-12-10(3-9(14)11(15)13(12)19(20)21)18(6)4-8-5-22-7(2)17-8/h3,5H,4H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50424783 (CHEMBL2315104) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)19-9-5-4-8-18(19)23(34)32-14-12-31(13-15-32)21-11-10-20(29-30-21)22(33)28-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,28,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150095 (CHEMBL3769502) Show SMILES Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)B(O)O Show InChI InChI=1S/C15H13BCl2N2O2/c1-9-19-14-6-12(17)13(18)7-15(14)20(9)8-10-2-4-11(5-3-10)16(21)22/h2-7,21-22H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150116 (CHEMBL3771173) Show SMILES CC(c1ccccc1)n1c(C)nc2c(c(C)c(C)cc12)[N+]([O-])=O Show InChI InChI=1S/C18H19N3O2/c1-11-10-16-17(18(12(11)2)21(22)23)19-14(4)20(16)13(3)15-8-6-5-7-9-15/h5-10,13H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239527 (CHEMBL4086571) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H22F3N5O3S/c24-23(25,26)18-8-4-5-9-20(18)35(33,34)31-14-12-30(13-15-31)21-11-10-19(28-29-21)22(32)27-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239524 (CHEMBL4092758) Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)CCc1ccc(F)cc1 Show InChI InChI=1S/C24H25FN4O3S/c1-18-4-2-3-5-23(18)33(31,32)29-16-14-28(15-17-29)24-13-11-21(26-27-24)22(30)12-8-19-6-9-20(25)10-7-19/h2-7,9-11,13H,8,12,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239528 (CHEMBL4080038) Show SMILES OC1CCN(CC1)c1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H32N6O4S/c34-22-12-14-31(15-13-22)24-8-4-5-9-25(24)38(36,37)33-18-16-32(17-19-33)26-11-10-23(29-30-26)27(35)28-20-21-6-2-1-3-7-21/h1-11,22,34H,12-20H2,(H,28,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260241 (CHEMBL4080636) Show SMILES Cn1c(nc2onc(-c3ccccc3Cl)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C23H21ClN4O2/c1-27-21(16-10-8-15(9-11-16)14-28-12-4-5-13-28)25-22-19(23(27)29)20(26-30-22)17-6-2-3-7-18(17)24/h2-3,6-11H,4-5,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150048 (CHEMBL3770506) Show SMILES Cc1nc2c(c(Cl)c(Cl)cc2n1Cc1ccc(cc1)-n1cccc1)[N+]([O-])=O Show InChI InChI=1S/C19H14Cl2N4O2/c1-12-22-18-16(10-15(20)17(21)19(18)25(26)27)24(12)11-13-4-6-14(7-5-13)23-8-2-3-9-23/h2-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239512 (CHEMBL4069309) Show SMILES Fc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H22FN5O3S/c23-18-8-4-5-9-20(18)32(30,31)28-14-12-27(13-15-28)21-11-10-19(25-26-21)22(29)24-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260232 (CHEMBL4096415) Show SMILES Cc1nc(=O)c(c(C)n1-c1cccc(Br)c1)-c1ccccc1 Show InChI InChI=1S/C18H15BrN2O/c1-12-17(14-7-4-3-5-8-14)18(22)20-13(2)21(12)16-10-6-9-15(19)11-16/h3-11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260231 (CHEMBL4089123) Show SMILES CCCCc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H21N3O/c1-4-5-11-15-12(2)19-17-16(14-9-7-6-8-10-14)13(3)20-21(17)18(15)22/h6-10,19H,4-5,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239513 (CHEMBL4090348) Show SMILES CN(C)c1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H28N6O3S/c1-28(2)21-10-6-7-11-22(21)34(32,33)30-16-14-29(15-17-30)23-13-12-20(26-27-23)24(31)25-18-19-8-4-3-5-9-19/h3-13H,14-18H2,1-2H3,(H,25,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50150118 (CHEMBL3770101) Show SMILES Cc1nc2c(c(F)c(F)cc2n1Cc1ccc(cc1)B(O)O)[N+]([O-])=O Show InChI InChI=1S/C15H12BF2N3O4/c1-8-19-14-12(6-11(17)13(18)15(14)21(24)25)20(8)7-9-2-4-10(5-3-9)16(22)23/h2-6,22-23H,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Ma...				J Med Chem 59: 1140-8 (2016) Article DOI: 10.1021/acs.jmedchem.5b01741 BindingDB Entry DOI: 10.7270/Q2959KDZ
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239521 (CHEMBL4084024) Show SMILES Cc1ccccc1S(=O)(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H26N4O3S/c1-18-7-5-6-10-22(18)32(30,31)20-13-15-28(16-14-20)23-12-11-21(26-27-23)24(29)25-17-19-8-3-2-4-9-19/h2-12,20H,13-17H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260237 (CHEMBL4061348) Show SMILES Cc1ccccc1C(=O)Nc1cnc2sc3CCCCc3n2c1=O Show InChI InChI=1S/C18H17N3O2S/c1-11-6-2-3-7-12(11)16(22)20-13-10-19-18-21(17(13)23)14-8-4-5-9-15(14)24-18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapted malachite green assay				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair

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