Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'cortese' and Initial = 'j'   

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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29602 (benzylidenehydrazine derivative, 19) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1ccc(cc1)-n1ccnc1 |w:13.13| Show InChI InChI=1S/C17H21N5O3/c23-16(4-2-1-3-5-17(24)21-25)20-19-12-14-6-8-15(9-7-14)22-11-10-18-13-22/h6-13,25H,1-5H2,(H,20,23)(H,21,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29593 (benzylidenehydrazine derivative, 10) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cc2OCOc2cc1Br |w:13.13| Show InChI InChI=1S/C15H18BrN3O5/c16-11-7-13-12(23-9-24-13)6-10(11)8-17-18-14(20)4-2-1-3-5-15(21)19-22/h6-8,22H,1-5,9H2,(H,18,20)(H,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29595 (benzylidenehydrazine derivative, 12) Show SMILES COc1ccc(Br)c(C=NNC(=O)CCCCCC(=O)NO)c1 |w:8.7| Show InChI InChI=1S/C15H20BrN3O4/c1-23-12-7-8-13(16)11(9-12)10-17-18-14(20)5-3-2-4-6-15(21)19-22/h7-10,22H,2-6H2,1H3,(H,18,20)(H,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120351 (US8703811, 93) Show SMILES Cc1nc2cc3ccccc3cc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C20H17N3OS/c1-12-21-16-10-13-4-2-3-5-14(13)11-17(16)23(12)19-9-8-18(25-19)20(24)22-15-6-7-15/h2-5,8-11,15H,6-7H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	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 falciparum)	BDBM120317 (US8703811, 58) Show SMILES Cc1nc2ccc(OC(F)(F)F)cc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H14F3N3O2S/c1-9-21-12-5-4-11(25-17(18,19)20)8-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29603 (benzylidenehydrazine derivative, 20) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cccnc1Br |w:13.13| Show InChI InChI=1S/C13H17BrN4O3/c14-13-10(5-4-8-15-13)9-16-17-11(19)6-2-1-3-7-12(20)18-21/h4-5,8-9,21H,1-3,6-7H2,(H,17,19)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29599 (benzylidenehydrazine derivative, 16) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1ccccc1Br |w:13.13| Show InChI InChI=1S/C14H18BrN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29596 (benzylidenehydrazine derivative, 13) Show SMILES CN(C)c1ccc(C=NNC(=O)CCCCCC(=O)NO)c(O)c1 |w:7.6| Show InChI InChI=1S/C16H24N4O4/c1-20(2)13-9-8-12(14(21)10-13)11-17-18-15(22)6-4-3-5-7-16(23)19-24/h8-11,21,24H,3-7H2,1-2H3,(H,18,22)(H,19,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120319 (US8703811, 60) Show SMILES Cc1ccc2n(cnc2c1)-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H15N3OS/c1-10-2-5-13-12(8-10)17-9-19(13)15-7-6-14(21-15)16(20)18-11-3-4-11/h2,5-9,11H,3-4H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	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 falciparum)	BDBM120301 (US8703811, 40 | US8703811, 41) Show SMILES Cc1nc2cc(Cl)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H14ClN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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)	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 falciparum)	BDBM120323 (US8703811, 64) Show SMILES Cc1nc2cc(ccc2n1-c1ccc(s1)C(=O)NC1CC1)C(F)(F)F Show InChI InChI=1S/C17H14F3N3OS/c1-9-21-12-8-10(17(18,19)20)2-5-13(12)23(9)15-7-6-14(25-15)16(24)22-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29597 (benzylidenehydrazine derivative, 14) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13| Show InChI InChI=1S/C18H21N3O4/c22-16-11-10-13-6-4-5-7-14(13)15(16)12-19-20-17(23)8-2-1-3-9-18(24)21-25/h4-7,10-12,22,25H,1-3,8-9H2,(H,20,23)(H,21,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	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 falciparum)	BDBM120324 (US8703811, 65) Show SMILES Cc1nc2c(C)cccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H17N3OS/c1-10-4-3-5-13-16(10)18-11(2)20(13)15-9-8-14(22-15)17(21)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29594 (benzylidenehydrazine derivative, 11) Show SMILES ONC(=O)CCCCCCC(=O)NN=Cc1c(O)cc(O)cc1O |w:14.14| Show InChI InChI=1S/C15H21N3O6/c19-10-7-12(20)11(13(21)8-10)9-16-17-14(22)5-3-1-2-4-6-15(23)18-24/h7-9,19-21,24H,1-6H2,(H,17,22)(H,18,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29607 (benzylidenehydrazine derivative, 24) Show SMILES ONC(=O)CCCCC(=O)NN=Cc1ccc(cc1)B(O)O |w:12.12| Show InChI InChI=1S/C13H18BN3O5/c18-12(3-1-2-4-13(19)17-22)16-15-9-10-5-7-11(8-6-10)14(20)21/h5-9,20-22H,1-4H2,(H,16,18)(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29598 (benzylidenehydrazine derivative, 15) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cc(O)ccc1Br |w:13.13| Show InChI InChI=1S/C14H18BrN3O4/c15-12-7-6-11(19)8-10(12)9-16-17-13(20)4-2-1-3-5-14(21)18-22/h6-9,19,22H,1-5H2,(H,17,20)(H,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120305 (US8703811, 44) Show SMILES Cc1nc2cc(C)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H17N3OS/c1-10-3-6-14-13(9-10)18-11(2)20(14)16-8-7-15(22-16)17(21)19-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	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 falciparum)	BDBM50379142 (CHEMBL2012824 | US8703811, 23) Show SMILES O=C(NC1CC1)c1ccc(s1)-n1cnc2ccccc12 Show InChI InChI=1S/C15H13N3OS/c19-15(17-10-5-6-10)13-7-8-14(20-13)18-9-16-11-3-1-2-4-12(11)18/h1-4,7-10H,5-6H2,(H,17,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	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 falciparum)	BDBM120315 (US8703811, 55) Show SMILES CCNC(=O)c1ccc(s1)-n1cnc2cc(Cl)ccc12 Show InChI InChI=1S/C14H12ClN3OS/c1-2-16-14(19)12-5-6-13(20-12)18-8-17-10-7-9(15)3-4-11(10)18/h3-8H,2H2,1H3,(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	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 falciparum)	BDBM120301 (US8703811, 40 | US8703811, 41) Show SMILES Cc1nc2cc(Cl)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H14ClN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	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 falciparum)	BDBM120328 (US8703811, 70) Show SMILES Fc1ccc2n(cnc2c1)-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C15H12FN3OS/c16-9-1-4-12-11(7-9)17-8-19(12)14-6-5-13(21-14)15(20)18-10-2-3-10/h1,4-8,10H,2-3H2,(H,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29600 (benzylidenehydrazine derivative, 17) Show SMILES COc1cc(C=NNC(=O)CCCCCC(=O)NO)c(Br)cc1O |w:5.4| Show InChI InChI=1S/C15H20BrN3O5/c1-24-13-7-10(11(16)8-12(13)20)9-17-18-14(21)5-3-2-4-6-15(22)19-23/h7-9,20,23H,2-6H2,1H3,(H,18,21)(H,19,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29591 (benzylidenehydrazine derivative, 8) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cccc(O)c1 |w:13.13| Show InChI InChI=1S/C14H19N3O4/c18-12-6-4-5-11(9-12)10-15-16-13(19)7-2-1-3-8-14(20)17-21/h4-6,9-10,18,21H,1-3,7-8H2,(H,16,19)(H,17,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29606 (benzylidenehydrazine derivative, 23) Show SMILES COc1cc(C=NNC(=O)CCCCC(=O)NO)c(Br)cc1O |w:5.4| Show InChI InChI=1S/C14H18BrN3O5/c1-23-12-6-9(10(15)7-11(12)19)8-16-17-13(20)4-2-3-5-14(21)18-22/h6-8,19,22H,2-5H2,1H3,(H,17,20)(H,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517] (Plasmodium berghei)	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	60	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 [100-517] (Plasmodium berghei)	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	60	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 falciparum)	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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	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 falciparum)	BDBM50379157 (CHEMBL1234899 | US8703811, 57) Show SMILES Cc1nc2cc(OC(F)(F)F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	64	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				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120325 (US8703811, 66) Show SMILES CCc1nc2cc(F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H16FN3OS/c1-2-15-20-12-9-10(18)3-6-13(12)21(15)16-8-7-14(23-16)17(22)19-11-4-5-11/h3,6-9,11H,2,4-5H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	67	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 falciparum)	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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	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 falciparum)	BDBM50379146 (CHEMBL2012829 | US8703811, 31 | US8703811, 32) Show SMILES Cc1nc2ccccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H15N3OS/c1-10-17-12-4-2-3-5-13(12)19(10)15-9-8-14(21-15)16(20)18-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	74	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 falciparum)	BDBM120320 (US8703811, 61) Show SMILES CCNC(=O)c1ccc(s1)-n1cnc2cc(C)ccc12 Show InChI InChI=1S/C15H15N3OS/c1-3-16-15(19)13-6-7-14(20-13)18-9-17-11-8-10(2)4-5-12(11)18/h4-9H,3H2,1-2H3,(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	75	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 falciparum)	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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	83	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 falciparum)	BDBM120303 (US8703811, 42 | US8703811, 43) Show SMILES Cc1nc2cc(F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H14FN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	88	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29605 (benzylidenehydrazine derivative, 22) Show SMILES ONC(=O)CCCCC(=O)NN=Cc1cc(O)ccc1Br |w:12.12| Show InChI InChI=1S/C13H16BrN3O4/c14-11-6-5-10(18)7-9(11)8-15-16-12(19)3-1-2-4-13(20)17-21/h5-8,18,21H,1-4H2,(H,16,19)(H,17,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120356 (US8703811, 98) Show SMILES Cc1nc2ccc(cc2n1-c1ccc(s1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C22H19N3OS/c1-14-23-18-10-7-16(15-5-3-2-4-6-15)13-19(18)25(14)21-12-11-20(27-21)22(26)24-17-8-9-17/h2-7,10-13,17H,8-9H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	89	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
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29601 (benzylidenehydrazine derivative, 18) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1ccccc1Cl |w:13.13| Show InChI InChI=1S/C14H18ClN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120312 (US8703811, 52) Show SMILES CCNC(=O)c1ccc(s1)-n1c(C)nc2cc(Cl)ccc12 Show InChI InChI=1S/C15H14ClN3OS/c1-3-17-15(20)13-6-7-14(21-13)19-9(2)18-11-8-10(16)4-5-12(11)19/h4-8H,3H2,1-2H3,(H,17,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	94	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 falciparum)	BDBM50379146 (CHEMBL2012829 | US8703811, 31 | US8703811, 32) Show SMILES Cc1nc2ccccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H15N3OS/c1-10-17-12-4-2-3-5-13(12)19(10)15-9-8-14(21-15)16(20)18-11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	99	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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301852 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(pyri...) Show SMILES CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C17H24N2O3/c1-16(13-17(22-21-16)7-3-2-4-8-17)11-15(20)19-12-14-5-9-18-10-6-14/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379157 (CHEMBL1234899 | US8703811, 57) Show SMILES Cc1nc2cc(OC(F)(F)F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 using bufuralol as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM120303 (US8703811, 42 | US8703811, 43) Show SMILES Cc1nc2cc(F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H14FN3OS/c1-9-18-12-8-10(17)2-5-13(12)20(9)15-7-6-14(22-15)16(21)19-11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	104	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 falciparum)	BDBM120326 (US8703811, 68) Show SMILES CCNC(=O)c1ccc(s1)-n1cnc2cc(F)ccc12 Show InChI InChI=1S/C14H12FN3OS/c1-2-16-14(19)12-5-6-13(20-12)18-8-17-10-7-9(15)3-4-11(10)18/h3-8H,2H2,1H3,(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	105	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 falciparum)	BDBM120353 (US8703811, 95) Show SMILES Cc1nc2cc(F)c(F)cc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H13F2N3OS/c1-8-19-12-6-10(17)11(18)7-13(12)21(8)15-5-4-14(23-15)16(22)20-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	105	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

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