Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: P28272   

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 (fumarate) (Saccharomyces cerevisiae)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	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)	Reactome pathway KEGG UniProtKB/SwissProt 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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt 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
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM36349 (Artemisinin, 18 | CID452191) Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 Show InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50028962 (CHEMBL275638 | flavone) Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50135527 ((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50256529 (CHEMBL481680 | diphenyliodonium chloride) Show SMILES [I+](c1ccccc1)c1ccccc1 Show InChI InChI=1S/C12H10I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50206334 (CHEMBL397686 | Diphenylene iodonium chloride | dib...) Show SMILES [I+]1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50203194 (1-Hydroxy-2-dodecyl-4(1H)quinoline | 1-hydroxy-2-d...) Show SMILES CCCCCCCCCCCCc1cc(=O)c2ccccc2n1O Show InChI InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50191588 ((2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)...) Show SMILES CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O |r| Show InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate) (Saccharomyces cerevisiae)	BDBM50203188 (2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy...) Show SMILES Clc1ccc(cc1)[C@H]1CC[C@@H](CC1)C1C(=O)C(=O)c2ccccc2C1=O |r,wU:7.7,wD:10.14,(15.73,-5.45,;14.39,-6.22,;14.39,-7.76,;13.06,-8.53,;11.71,-7.75,;11.71,-6.23,;13.05,-5.45,;10.38,-8.52,;10.38,-10.06,;9.05,-10.83,;7.71,-10.05,;7.71,-8.53,;9.04,-7.76,;6.35,-10.84,;6.35,-12.37,;7.7,-13.16,;5.03,-13.14,;5.03,-14.7,;3.67,-12.36,;2.35,-13.13,;1.02,-12.36,;1.02,-10.81,;2.29,-10.08,;3.66,-10.88,;5.05,-10.07,;5.05,-8.52,)| Show InChI InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,19H,5-8H2/t13-,15-,19?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
					More data for this Ligand-Target Pair