Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'booker' and Initial = 'm'   

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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323215 ((2S,3S)-N-((S)-1-(4-(5-(2-cyclohexylethyl)-1,2,4-o...) Show SMILES CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C24H34N4O3/c1-2-19(26-24(30)22-20(29)14-15-25-22)17-9-11-18(12-10-17)23-27-21(31-28-23)13-8-16-6-4-3-5-7-16/h9-12,16,19-20,22,25,29H,2-8,13-15H2,1H3,(H,26,30)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323216 ((2S,3S)-N-((S)-1-(4-(5-(2-cyclohexylethyl)-1,2,4-o...) Show SMILES C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C23H32N4O3/c1-15(25-23(29)21-19(28)13-14-24-21)17-8-10-18(11-9-17)22-26-20(30-27-22)12-7-16-5-3-2-4-6-16/h8-11,15-16,19,21,24,28H,2-7,12-14H2,1H3,(H,25,29)/t15-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323223 ((2S,3S)-N-(4-(5-(2-cyclohexylethyl)-1,2,4-oxadiazo...) Show SMILES O[C@H]1CCN[C@@H]1C(=O)NCc1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r| Show InChI InChI=1S/C22H30N4O3/c27-18-12-13-23-20(18)22(28)24-14-16-6-9-17(10-7-16)21-25-19(29-26-21)11-8-15-4-2-1-3-5-15/h6-7,9-10,15,18,20,23,27H,1-5,8,11-14H2,(H,24,28)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323219 ((2S,3S)-N-((S)-1-(4-(5-heptyl-1,2,4-oxadiazol-3-yl...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)[C@H](CC)NC(=O)[C@H]1NCC[C@@H]1O |r| Show InChI InChI=1S/C23H34N4O3/c1-3-5-6-7-8-9-20-26-22(27-30-20)17-12-10-16(11-13-17)18(4-2)25-23(29)21-19(28)14-15-24-21/h10-13,18-19,21,24,28H,3-9,14-15H2,1-2H3,(H,25,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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
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 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 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
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
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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323220 ((2S,3S)-N-((S)-1-(4-(5-heptyl-1,2,4-oxadiazol-3-yl...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)[C@H](C)NC(=O)[C@H]1NCC[C@@H]1O |r| Show InChI InChI=1S/C22H32N4O3/c1-3-4-5-6-7-8-19-25-21(26-29-19)17-11-9-16(10-12-17)15(2)24-22(28)20-18(27)13-14-23-20/h9-12,15,18,20,23,27H,3-8,13-14H2,1-2H3,(H,24,28)/t15-,18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323231 ((2S,3S)-N-(4-(5-hexyl-1,2,4-oxadiazol-3-yl)benzyl)...) Show SMILES CCCCCCc1nc(no1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-5-6-17-23-19(24-27-17)15-9-7-14(8-10-15)13-22-20(26)18-16(25)11-12-21-18/h7-10,16,18,21,25H,2-6,11-13H2,1H3,(H,22,26)/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of human sphingosine kinase 1 by off chip mobility shift assay				Bioorg Med Chem Lett 19: 6119-21 (2009) Article DOI: 10.1016/j.bmcl.2009.09.022 BindingDB Entry DOI: 10.7270/Q29Z94ZP
					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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323242 ((2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-...) Show SMILES CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r| Show InChI InChI=1S/C23H32N4O3/c1-2-18(25-23(29)21-19(28)13-14-24-21)16-8-10-17(11-9-16)22-26-20(30-27-22)12-7-15-5-3-4-6-15/h8-11,15,18-19,21,24,28H,2-7,12-14H2,1H3,(H,25,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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)	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)	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
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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323217 ((2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-...) Show SMILES C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r| Show InChI InChI=1S/C22H30N4O3/c1-14(24-22(28)20-18(27)12-13-23-20)16-7-9-17(10-8-16)21-25-19(29-26-21)11-6-15-4-2-3-5-15/h7-10,14-15,18,20,23,27H,2-6,11-13H2,1H3,(H,24,28)/t14-,18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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	Article PubMed	n/a	n/a	60	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 [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	Article PubMed	n/a	n/a	60	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 [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 [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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323234 ((2S,3S)-N-(4-(3-heptyl-1,2,4-oxadiazol-5-yl)benzyl...) Show SMILES CCCCCCCc1noc(n1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-18-24-21(28-25-18)16-10-8-15(9-11-16)14-23-20(27)19-17(26)12-13-22-19/h8-11,17,19,22,26H,2-7,12-14H2,1H3,(H,23,27)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50299328 ((2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-c...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50299328 ((2S,3S)-3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-c...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C19H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-19(23)18-17(22)13-14-20-18/h9-12,17-18,20,22H,2-8,13-14H2,1H3,(H,21,23)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of human sphingosine kinase 1 by off chip mobility shift assay				Bioorg Med Chem Lett 19: 6119-21 (2009) Article DOI: 10.1016/j.bmcl.2009.09.022 BindingDB Entry DOI: 10.7270/Q29Z94ZP
					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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323225 ((2S,3S)-N-(4-(5-(2-cyclopentylethyl)-1,2,4-oxadiaz...) Show SMILES O[C@H]1CCN[C@@H]1C(=O)NCc1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r| Show InChI InChI=1S/C21H28N4O3/c26-17-11-12-22-19(17)21(27)23-13-15-5-8-16(9-6-15)20-24-18(28-25-20)10-7-14-3-1-2-4-14/h5-6,8-9,14,17,19,22,26H,1-4,7,10-13H2,(H,23,27)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323240 ((2S,3S)-N-(4-(5-heptyl-1,2,4-oxadiazol-3-yl)benzyl...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C21H30N4O3/c1-2-3-4-5-6-7-18-24-20(25-28-18)16-10-8-15(9-11-16)14-23-21(27)19-17(26)12-13-22-19/h8-11,17,19,22,26H,2-7,12-14H2,1H3,(H,23,27)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323233 ((2S,3S)-N-(4-(5-heptylthiazol-2-yl)benzyl)-3-hydro...) Show SMILES CCCCCCCc1cnc(s1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C22H31N3O2S/c1-2-3-4-5-6-7-18-15-25-22(28-18)17-10-8-16(9-11-17)14-24-21(27)20-19(26)12-13-23-20/h8-11,15,19-20,23,26H,2-7,12-14H2,1H3,(H,24,27)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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)	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	Article PubMed	n/a	n/a	83	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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50323238 ((2S,3S)-3-hydroxy-N-(4-(5-octyl-1,2,4-oxadiazol-3-...) Show SMILES CCCCCCCCc1nc(no1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r| Show InChI InChI=1S/C22H32N4O3/c1-2-3-4-5-6-7-8-19-25-21(26-29-19)17-11-9-16(10-12-17)15-24-22(28)20-18(27)13-14-23-20/h9-12,18,20,23,27H,2-8,13-15H2,1H3,(H,24,28)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corporation Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1				Bioorg Med Chem Lett 20: 4550-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.019 BindingDB Entry DOI: 10.7270/Q23T9HDT
					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
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
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 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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