Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50000767   

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))	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))	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))	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))	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))	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
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260216 (CHEMBL4066911) Show SMILES Cc1nn2c([nH]c(C)c(Cl)c2=O)c1-c1ccccc1 Show InChI InChI=1S/C14H12ClN3O/c1-8-11(10-6-4-3-5-7-10)13-16-9(2)12(15)14(19)18(13)17-8/h3-7,16H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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))	BDBM50260230 (CHEMBL1701908) Show SMILES CCCCc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O2/c1-5-6-7-16-12(2)20-18-17(13(3)21-22(18)19(16)23)14-8-10-15(24-4)11-9-14/h8-11,20H,5-7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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))	BDBM50260224 (CHEMBL4071635) Show SMILES Cn1c(cc2onc(-c3cccnc3)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c1-26-19(17-8-6-16(7-9-17)15-27-11-2-3-12-27)13-20-21(23(26)28)22(25-29-20)18-5-4-10-24-14-18/h4-10,13-14H,2-3,11-12,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	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))	BDBM50260221 (CHEMBL4079708) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C24H19N3O4/c1-26-18(16-9-7-15(8-10-16)14-27-20(28)11-12-21(27)29)13-19-22(24(26)30)23(25-31-19)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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))	BDBM50371210 (CHEMBL247879) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C Show InChI InChI=1S/C22H21N3O2/c1-24(2)14-15-9-11-16(12-10-15)18-13-19-20(22(26)25(18)3)21(23-27-19)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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))	BDBM50260233 (CHEMBL1492375) Show SMILES Oc1ccnc(SCC(=O)N2CCOCC2)n1 Show InChI InChI=1S/C10H13N3O3S/c14-8-1-2-11-10(12-8)17-7-9(15)13-3-5-16-6-4-13/h1-2H,3-7H2,(H,11,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	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))	BDBM50260215 (CHEMBL3717926 | US10953012, Example 16) Show SMILES COc1ccccc1-c1cc(=O)n2nc(C)c(-c3ccccc3)c2[nH]1 Show InChI InChI=1S/C20H17N3O2/c1-13-19(14-8-4-3-5-9-14)20-21-16(12-18(24)23(20)22-13)15-10-6-7-11-17(15)25-2/h3-12,21H,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	1.10E+3	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))	BDBM50260235 (CHEMBL1317843) Show SMILES COc1ccc(cc1)-c1c(C)nn2c1[nH]c1CCCCc1c2=O Show InChI InChI=1S/C18H19N3O2/c1-11-16(12-7-9-13(23-2)10-8-12)17-19-15-6-4-3-5-14(15)18(22)21(17)20-11/h7-10,19H,3-6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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))	BDBM50260239 (CHEMBL4068934) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C24H23N3O3/c1-26-20(18-9-7-17(8-10-18)16-27-11-13-29-14-12-27)15-21-22(24(26)28)23(25-30-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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))	BDBM50371205 (CHEMBL393713) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3onc(-c4ccccc4)c3c(=O)n2C)CC1 Show InChI InChI=1S/C25H26N4O2/c1-27-12-14-29(15-13-27)17-18-8-10-19(11-9-18)21-16-22-23(25(30)28(21)2)24(26-31-22)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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))	BDBM50260220 (CHEMBL4099630) Show SMILES CC(NC(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S/c1-10(13-7-5-4-6-8-13)19-15(21)14-9-18-17-20(16(14)22)11(2)12(3)23-17/h4-10H,1-3H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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))	BDBM50260218 (CHEMBL4077916) Show SMILES CCCCc1nn2c(ncc(NC(=O)c3ccccc3Cl)c2=O)s1 Show InChI InChI=1S/C16H15ClN4O2S/c1-2-3-8-13-20-21-15(23)12(9-18-16(21)24-13)19-14(22)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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))	BDBM50260222 (CHEMBL4097740) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C24H23N3O2/c1-26-20(18-11-9-17(10-12-18)16-27-13-5-6-14-27)15-21-22(24(26)28)23(25-29-21)19-7-3-2-4-8-19/h2-4,7-12,15H,5-6,13-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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))	BDBM50260236 (CHEMBL4077882) Show SMILES COCCn1c(=O)n(C)c2nc3n(Cc4ccccc4)c(C)cn3c2c1=O Show InChI InChI=1S/C19H21N5O3/c1-13-11-24-15-16(21(2)19(26)22(17(15)25)9-10-27-3)20-18(24)23(13)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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))	BDBM50260226 (CHEMBL4097159) Show SMILES Cn1c(cc2onc(-c3ccccc3Cl)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C24H22ClN3O2/c1-27-20(17-10-8-16(9-11-17)15-28-12-4-5-13-28)14-21-22(24(27)29)23(26-30-21)18-6-2-3-7-19(18)25/h2-3,6-11,14H,4-5,12-13,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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))	BDBM50260227 (CHEMBL4104868) Show SMILES Cn1c(nc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c1-26-21(18-11-9-16(10-12-18)15-27-13-5-6-14-27)24-22-19(23(26)28)20(25-29-22)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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))	BDBM50260214 (CHEMBL4080322) Show SMILES COC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C19H21N3O5/c1-10-13(9-16(23)27-5)19(24)22-18(20-10)17(11(2)21-22)12-6-7-14(25-3)15(8-12)26-4/h6-8,20H,9H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	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))	BDBM50260240 (CHEMBL4098653) Show SMILES O=c1n(Cc2ccccc2)c(cc2onc(-c3ccccc3)c12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C30H27N3O2/c34-30-28-27(35-31-29(28)25-11-5-2-6-12-25)19-26(33(30)21-22-9-3-1-4-10-22)24-15-13-23(14-16-24)20-32-17-7-8-18-32/h1-6,9-16,19H,7-8,17-18,20-21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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))	BDBM50260219 (CHEMBL4095961) Show SMILES CC(C)c1nn2c(ncc(NC(=O)c3ccccc3Cl)c2=O)s1 Show InChI InChI=1S/C15H13ClN4O2S/c1-8(2)13-19-20-14(22)11(7-17-15(20)23-13)18-12(21)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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))	BDBM50260225 (CHEMBL4069960) Show SMILES Cn1c(cc2onc(-c3ccccn3)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c1-26-19(17-9-7-16(8-10-17)15-27-12-4-5-13-27)14-20-21(23(26)28)22(25-29-20)18-6-2-3-11-24-18/h2-3,6-11,14H,4-5,12-13,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	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))	BDBM50260223 (CHEMBL4060259) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C32H31N3O2/c1-34-28(21-29-30(32(34)36)31(33-37-29)27-10-6-3-7-11-27)26-14-12-25(13-15-26)22-35-18-16-24(17-19-35)20-23-8-4-2-5-9-23/h2-15,21,24H,16-20,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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))	BDBM50305859 (5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)...) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1 Show InChI InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50260238 (CHEMBL4087587) Show SMILES Cc1noc2cc(-c3ccccc3)n(C)c(=O)c12 Show InChI InChI=1S/C14H12N2O2/c1-9-13-12(18-15-9)8-11(16(2)14(13)17)10-6-4-3-5-7-10/h3-8H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50260213 (CHEMBL4081583) Show SMILES Cn1c(cc2oc(c(-c3ccccc3)c2c1=O)-c1ccccc1)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C31H28N2O2/c1-32-26(23-16-14-22(15-17-23)21-33-18-8-9-19-33)20-27-29(31(32)34)28(24-10-4-2-5-11-24)30(35-27)25-12-6-3-7-13-25/h2-7,10-17,20H,8-9,18-19,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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