Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: A5K1N1   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92606 (DHOD Inhibitor, 5 | US8703811, 6) Show SMILES CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C Show InChI InChI=1S/C18H23NO3/c1-5-21-15-9-7-14(8-10-15)11-16-12(3)17(19-13(16)4)18(20)22-6-2/h7-10,19H,5-6,11H2,1-4H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Assay was determined using a continuous assay.				J Biol Chem 283: 35078-85 (2008) Article DOI: 10.1074/jbc.M804990200 BindingDB Entry DOI: 10.7270/Q2VH5MFQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92606 (DHOD Inhibitor, 5 | US8703811, 6) Show SMILES CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C Show InChI InChI=1S/C18H23NO3/c1-5-21-15-9-7-14(8-10-15)11-16-12(3)17(19-13(16)4)18(20)22-6-2/h7-10,19H,5-6,11H2,1-4H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92605 (DHOD Inhibitor, 4 | US8703811, 5) Show SMILES O=C(NC1CC1)c1ccc(s1)N1CCSc2ccccc12 Show InChI InChI=1S/C16H16N2OS2/c19-16(17-11-5-6-11)14-7-8-15(21-14)18-9-10-20-13-4-2-1-3-12(13)18/h1-4,7-8,11H,5-6,9-10H2,(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92605 (DHOD Inhibitor, 4 | US8703811, 5) Show SMILES O=C(NC1CC1)c1ccc(s1)N1CCSc2ccccc12 Show InChI InChI=1S/C16H16N2OS2/c19-16(17-11-5-6-11)14-7-8-15(21-14)18-9-10-20-13-4-2-1-3-12(13)18/h1-4,7-8,11H,5-6,9-10H2,(H,17,19)	KEGG UniProtKB/TrEMBL 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
Harvard Medical School					Assay Description Assay was determined using a continuous assay.				J Biol Chem 283: 35078-85 (2008) Article DOI: 10.1074/jbc.M804990200 BindingDB Entry DOI: 10.7270/Q2VH5MFQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92604 (DHOD Inhibitor, 3 | US8703811, 1) Show SMILES CCCNC(=O)c1ccc(s1)-n1c(C)cc2ccccc12 Show InChI InChI=1S/C17H18N2OS/c1-3-10-18-17(20)15-8-9-16(21-15)19-12(2)11-13-6-4-5-7-14(13)19/h4-9,11H,3,10H2,1-2H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Assay was determined using a continuous assay.				J Biol Chem 283: 35078-85 (2008) Article DOI: 10.1074/jbc.M804990200 BindingDB Entry DOI: 10.7270/Q2VH5MFQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92604 (DHOD Inhibitor, 3 | US8703811, 1) Show SMILES CCCNC(=O)c1ccc(s1)-n1c(C)cc2ccccc12 Show InChI InChI=1S/C17H18N2OS/c1-3-10-18-17(20)15-8-9-16(21-15)19-12(2)11-13-6-4-5-7-14(13)19/h4-9,11H,3,10H2,1-2H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92603 (DHOD Inhibitor, 2 | US8703811, 3) Show SMILES CCCCCC1CCCc2c(O)c3ccccc3nc12 Show InChI InChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92603 (DHOD Inhibitor, 2 | US8703811, 3) Show SMILES CCCCCC1CCCc2c(O)c3ccccc3nc12 Show InChI InChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Assay was determined using a continuous assay.				J Biol Chem 283: 35078-85 (2008) Article DOI: 10.1074/jbc.M804990200 BindingDB Entry DOI: 10.7270/Q2VH5MFQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92602 (DHOD Inhibitor, 1 | US8703811, 2) Show SMILES Cc1ccccc1C=Cc1cc(O)c2ccccc2n1 |w:7.7| Show InChI InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM92602 (DHOD Inhibitor, 1 | US8703811, 2) Show SMILES Cc1ccccc1C=Cc1cc(O)c2ccccc2n1 |w:7.7| Show InChI InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Assay was determined using a continuous assay.				J Biol Chem 283: 35078-85 (2008) Article DOI: 10.1074/jbc.M804990200 BindingDB Entry DOI: 10.7270/Q2VH5MFQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium vivax)	BDBM120364 (US8703811, 4) Show SMILES Fc1cc(I)ccc1Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C15H9ClFIN2/c16-9-1-3-11-13(5-6-19-15(11)7-9)20-14-4-2-10(18)8-12(14)17/h1-8H,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College US Patent					Assay Description Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...				US Patent US8703811 (2014) BindingDB Entry DOI: 10.7270/Q2WD3Z7P
					More data for this Ligand-Target Pair