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PubMed code 21517059

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345406
PNG
(CHEMBL1784574 | N-(4-tert-Butyl-3-fluorophenyl)-5-...)
Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(C)(C)C)n2ncnc2n1
Show InChI InChI=1S/C16H18FN5/c1-10-7-14(22-15(20-10)18-9-19-22)21-11-5-6-12(13(17)8-11)16(2,3)4/h5-9,21H,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345441
PNG
(5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...)
Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345420
PNG
(CHEMBL1784561 | N-(4-tert-Butylphenyl)-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C)n2ncnc2n1
Show InChI InChI=1S/C16H19N5/c1-11-9-14(21-15(19-11)17-10-18-21)20-13-7-5-12(6-8-13)16(2,3)4/h5-10,20H,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 78n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345385
PNG
(CHEMBL1784580 | N-(Benzo[b]thiophen-5-yl)-5-methyl...)
Show SMILES Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1
Show InChI InChI=1S/C14H11N5S/c1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12/h2-8,18H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345414
PNG
(CHEMBL1784567 | N-(4-Pentafluorosulfenylphenyl)-5-...)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C12H10F5N5S/c1-8-6-11(22-12(20-8)18-7-19-22)21-9-2-4-10(5-3-9)23(13,14,15,16)17/h2-7,21H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345436
PNG
(5-Chloro-N-(4-trifluoromethyl)phenyl)-[1,2,4]triaz...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1
Show InChI InChI=1S/C12H7ClF3N5/c13-9-5-10(21-11(20-9)17-6-18-21)19-8-3-1-7(2-4-8)12(14,15)16/h1-6,19H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345442
PNG
(CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...)
Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H8F5N5/c1-6-2-10(23-12(21-6)19-5-20-23)22-7-3-8(14)11(9(15)4-7)13(16,17)18/h2-5,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345421
PNG
(CHEMBL600255 | N-(4-isopropylphenyl)-5-methyl-[1,2...)
Show SMILES CC(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345443
PNG
(CHEMBL586157 | N-(2,3-Dihydro1H-inden-5-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3CCCc3c2)n2ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-10-7-14(20-15(18-10)16-9-17-20)19-13-6-5-11-3-2-4-12(11)8-13/h5-9,19H,2-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345400
PNG
(CHEMBL1784556 | N-(4-Butylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C16H19N5/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-12(2)19-16-17-11-18-21(15)16/h6-11,20H,3-5H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345419
PNG
(CHEMBL1784562 | N-(4-Cyclopropylphenyl)-5-methyl-[...)
Show SMILES Cc1cc(Nc2ccc(cc2)C2CC2)n2ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-10-8-14(20-15(18-10)16-9-17-20)19-13-6-4-12(5-7-13)11-2-3-11/h4-9,11,19H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345387
PNG
(CHEMBL1784589 | N-(2,3-Dihydro-1H-inden-2-yl)-5-me...)
Show SMILES Cc1cc(NC2Cc3ccccc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-10-6-14(20-15(18-10)16-9-17-20)19-13-7-11-4-2-3-5-12(11)8-13/h2-6,9,13,19H,7-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345388
PNG
(5-Methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,...)
Show SMILES Cc1cc(NC2CCc3ccccc3C2)n2ncnc2n1
Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-5,8,10,14,20H,6-7,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345404
PNG
(CHEMBL1784576 | N-(3,4-Bis(trifluoromethyl)phenyl)...)
Show SMILES Cc1cc(Nc2ccc(c(c2)C(F)(F)F)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345405
PNG
(CHEMBL1784575 | N-(4-Chloro-3-fluorophenyl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9ClFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h2-6,18H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345402
PNG
(CHEMBL1714424 | N-(4-Ethylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C14H15N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h4-9,18H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345415
PNG
(5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...)
Show SMILES Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5S/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345389
PNG
(CHEMBL1784590 | N-(5-Fluoro-2,3-dihydro-1H-inden-2...)
Show SMILES Cc1cc(NC2Cc3ccc(F)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H14FN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345390
PNG
(CHEMBL1784594 | N-(6-Fluoro-1,2,3,4-tetrahydronaph...)
Show SMILES Cc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1
Show InChI InChI=1S/C16H16FN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345391
PNG
(CHEMBL1784595 | N-(6-Choro-1,2,3,4-tetrahydronapht...)
Show SMILES Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2ncnc2n1
Show InChI InChI=1S/C16H16ClN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345434
PNG
(5-Ethyl-N-(4-trifluoromethyl)phenyl-[1,2,4]triazol...)
Show SMILES CCc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h3-8,20H,2H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
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n/an/a 780n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345418
PNG
(CHEMBL1784563 | N-(4-Vinylphenyl)-5-methyl-[1,2,4]...)
Show SMILES Cc1cc(Nc2ccc(C=C)cc2)n2ncnc2n1
Show InChI InChI=1S/C14H13N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h3-9,18H,1H2,2H3
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n/an/a 800n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345399
PNG
(CHEMBL1784557 | N-(4-Pentylphenyl)-5-methyl-[1,2,4...)
Show SMILES CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C17H21N5/c1-3-4-5-6-14-7-9-15(10-8-14)21-16-11-13(2)20-17-18-12-19-22(16)17/h7-12,21H,3-6H2,1-2H3
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PubMed
n/an/a 820n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345412
PNG
(CHEMBL582694 | GNF-Pf-2905 | N1,N1-Dimethyl-N4-(5-...)
Show SMILES CN(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3
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n/an/a 820n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345401
PNG
(CHEMBL1784555 | N-(4-Propylphenyl)-5-methyl-[1,2,4...)
Show SMILES CCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C15H17N5/c1-3-4-12-5-7-13(8-6-12)19-14-9-11(2)18-15-16-10-17-20(14)15/h5-10,19H,3-4H2,1-2H3
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n/an/a 990n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345407
PNG
(2-Methyl-2-(4-(5-methyl-[1,2,4]triazolo[1,5-a]pyri...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C#N)n2ncnc2n1
Show InChI InChI=1S/C16H16N6/c1-11-8-14(22-15(20-11)18-10-19-22)21-13-6-4-12(5-7-13)16(2,3)9-17/h4-8,10,21H,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345417
PNG
(CHEMBL1784564 | N-(4-Ethynylphenyl)-5-methyl-[1,2,...)
Show SMILES Cc1cc(Nc2ccc(cc2)C#C)n2ncnc2n1
Show InChI InChI=1S/C14H11N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h1,4-9,18H,2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345392
PNG
(CHEMBL1784591 | N-(5-Bromo-2,3-dihydro-1H-inden-2-...)
Show SMILES Cc1cc(NC2Cc3ccc(Br)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H14BrN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345440
PNG
(CHEMBL1784717 | N-(3-fluoro-4-methylphenyl)-6,7-di...)
Show SMILES Cc1ccc(Nc2c3CCCc3nc3ncnn23)cc1F
Show InChI InChI=1S/C15H14FN5/c1-9-5-6-10(7-12(9)16)19-14-11-3-2-4-13(11)20-15-17-8-18-21(14)15/h5-8,19H,2-4H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345403
PNG
(CHEMBL1784579 | N-(Benzo[d][1,3]dioxol-5-yl)-5-met...)
Show SMILES Cc1cc(Nc2ccc3OCOc3c2)n2ncnc2n1
Show InChI InChI=1S/C13H11N5O2/c1-8-4-12(18-13(16-8)14-6-15-18)17-9-2-3-10-11(5-9)20-7-19-10/h2-6,17H,7H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345435
PNG
(5-(Trifluoromethyl)-N-(4-trifluoromethyl)phenyl)-[...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(nc3ncnn23)C(F)(F)F)cc1
Show InChI InChI=1S/C13H7F6N5/c14-12(15,16)7-1-3-8(4-2-7)22-10-5-9(13(17,18)19)23-11-20-6-21-24(10)11/h1-6,22H
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345437
PNG
(6-ethyl-N-(4-isopropylphenyl)-5-methyl-[1,2,4]tria...)
Show SMILES CCc1c(C)nc2ncnn2c1Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C17H21N5/c1-5-15-12(4)20-17-18-10-19-22(17)16(15)21-14-8-6-13(7-9-14)11(2)3/h6-11,21H,5H2,1-4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345416
PNG
(CHEMBL1784565 | N-(4-(2,2,2-trifuoroethyl)phenyl)-...)
Show SMILES Cc1cc(Nc2ccc(CC(F)(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-9-6-12(22-13(20-9)18-8-19-22)21-11-4-2-10(3-5-11)7-14(15,16)17/h2-6,8,21H,7H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345438
PNG
(6-ethyl-5-methyl-N-(4-(trifluoromethoxy)phenyl)-[1...)
Show SMILES CCc1c(C)nc2ncnn2c1Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H14F3N5O/c1-3-12-9(2)21-14-19-8-20-23(14)13(12)22-10-4-6-11(7-5-10)24-15(16,17)18/h4-8,22H,3H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345411
PNG
(5-Methyl-N-(4-(pyrrolidin-1-yl)phenyl)-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2ccc(cc2)N2CCCC2)n2ncnc2n1
Show InChI InChI=1S/C16H18N6/c1-12-10-15(22-16(19-12)17-11-18-22)20-13-4-6-14(7-5-13)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345424
PNG
(CHEMBL1784558 | N-(4-Hexylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C18H23N5/c1-3-4-5-6-7-15-8-10-16(11-9-15)22-17-12-14(2)21-18-19-13-20-23(17)18/h8-13,22H,3-7H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345393
PNG
(CHEMBL1784592 | N-(5,6-Dimethoxy-2,3-dihydro-1H-in...)
Show SMILES COc1cc2CC(Cc2cc1OC)Nc1cc(C)nc2ncnn12
Show InChI InChI=1S/C17H19N5O2/c1-10-4-16(22-17(20-10)18-9-19-22)21-13-5-11-7-14(23-2)15(24-3)8-12(11)6-13/h4,7-9,13,21H,5-6H2,1-3H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345413
PNG
(CHEMBL1784568 | N-(4-(Benzyloxy)phenyl)-5-methyl-[...)
Show SMILES Cc1cc(Nc2ccc(OCc3ccccc3)cc2)n2ncnc2n1
Show InChI InChI=1S/C19H17N5O/c1-14-11-18(24-19(22-14)20-13-21-24)23-16-7-9-17(10-8-16)25-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345394
PNG
(CHEMBL1784710 | N-Heptyl-5-methyl-[1,2,4]triazolo[...)
Show SMILES CCCCCCCNc1cc(C)nc2ncnn12
Show InChI InChI=1S/C13H21N5/c1-3-4-5-6-7-8-14-12-9-11(2)17-13-15-10-16-18(12)13/h9-10,14H,3-8H2,1-2H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345395
PNG
(5-Methyl-N-phenethyl-[1,2,4]triazolo[1,5-a]pyrimid...)
Show SMILES Cc1cc(NCCc2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C14H15N5/c1-11-9-13(19-14(18-11)16-10-17-19)15-8-7-12-5-3-2-4-6-12/h2-6,9-10,15H,7-8H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345386
PNG
(5-Methyl-N-(2-(trifluoromethyl)-1H-benzo[d]imidazo...)
Show SMILES Cc1cc(Nc2ccc3nc([nH]c3c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H10F3N7/c1-7-4-11(24-13(20-7)18-6-19-24)21-8-2-3-9-10(5-8)23-12(22-9)14(15,16)17/h2-6,21H,1H3,(H,22,23)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345423
PNG
(CHEMBL1784559 | N-(4-Heptylphenyl)-5-methyl-[1,2,4...)
Show SMILES CCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C19H25N5/c1-3-4-5-6-7-8-16-9-11-17(12-10-16)23-18-13-15(2)22-19-20-14-21-24(18)19/h9-14,23H,3-8H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345396
PNG
(5-Methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(NCCCc2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C15H17N5/c1-12-10-14(20-15(19-12)17-11-18-20)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3
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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345442
PNG
(CHEMBL1784577 | N-(3,5-Difluoro-4-(trifluoromethyl...)
Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H8F5N5/c1-6-2-10(23-12(21-6)19-5-20-23)22-7-3-8(14)11(9(15)4-7)13(16,17)18/h2-5,22H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345408
PNG
(CHEMBL1784572 | N-(4-tert-Butoxyphenyl)-5-methyl-[...)
Show SMILES Cc1cc(Nc2ccc(OC(C)(C)C)cc2)n2ncnc2n1
Show InChI InChI=1S/C16H19N5O/c1-11-9-14(21-15(19-11)17-10-18-21)20-12-5-7-13(8-6-12)22-16(2,3)4/h5-10,20H,1-4H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345405
PNG
(CHEMBL1784575 | N-(4-Chloro-3-fluorophenyl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9ClFN5/c1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h2-6,18H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345389
PNG
(CHEMBL1784590 | N-(5-Fluoro-2,3-dihydro-1H-inden-2...)
Show SMILES Cc1cc(NC2Cc3ccc(F)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H14FN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345415
PNG
(5-Methyl-N-(4-(trifuoromethylthio)phenyl)-[1,2,4]t...)
Show SMILES Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5S/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345422
PNG
(CHEMBL1784560 | N-(4-Octylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C20H27N5/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)24-19-14-16(2)23-20-21-15-22-25(19)20/h10-15,24H,3-9H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345392
PNG
(CHEMBL1784591 | N-(5-Bromo-2,3-dihydro-1H-inden-2-...)
Show SMILES Cc1cc(NC2Cc3ccc(Br)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H14BrN5/c1-9-4-14(21-15(19-9)17-8-18-21)20-13-6-10-2-3-12(16)5-11(10)7-13/h2-5,8,13,20H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345409
PNG
(CHEMBL1784571 | N1-tert-Butyl-N4(5-methyl-[1,2,4]t...)
Show SMILES Cc1cc(Nc2ccc(NC(C)(C)C)cc2)n2ncnc2n1
Show InChI InChI=1S/C16H20N6/c1-11-9-14(22-15(19-11)17-10-18-22)20-12-5-7-13(8-6-12)21-16(2,3)4/h5-10,20-21H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345397
PNG
(CHEMBL1784588 | N-Cyclododecyl-5-methyl-[1,2,4]tri...)
Show SMILES Cc1cc(NC2CCCCCCCCCCC2)n2ncnc2n1
Show InChI InChI=1S/C18H29N5/c1-15-13-17(23-18(21-15)19-14-20-23)22-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,22H,2-12H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345426
PNG
(CHEMBL1784584 | N-Cyclopentyl-5-methyl-[1,2,4]tria...)
Show SMILES Cc1cc(NC2CCCC2)n2ncnc2n1
Show InChI InChI=1S/C11H15N5/c1-8-6-10(15-9-4-2-3-5-9)16-11(14-8)12-7-13-16/h6-7,9,15H,2-5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345427
PNG
(CHEMBL1784585 | N-Cyclohexyl-5-methyl-[1,2,4]triaz...)
Show SMILES Cc1cc(NC2CCCCC2)n2ncnc2n1
Show InChI InChI=1S/C12H17N5/c1-9-7-11(16-10-5-3-2-4-6-10)17-12(15-9)13-8-14-17/h7-8,10,16H,2-6H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345441
PNG
(5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...)
Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345399
PNG
(CHEMBL1784557 | N-(4-Pentylphenyl)-5-methyl-[1,2,4...)
Show SMILES CCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C17H21N5/c1-3-4-5-6-14-7-9-15(10-8-14)21-16-11-13(2)20-17-18-12-19-22(16)17/h7-12,21H,3-6H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345402
PNG
(CHEMBL1714424 | N-(4-Ethylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C14H15N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h4-9,18H,3H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345425
PNG
(CHEMBL1784583 | N-Cyclobutyl-5-methyl-[1,2,4]triaz...)
Show SMILES Cc1cc(NC2CCC2)n2ncnc2n1
Show InChI InChI=1S/C10H13N5/c1-7-5-9(14-8-3-2-4-8)15-10(13-7)11-6-12-15/h5-6,8,14H,2-4H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345436
PNG
(5-Chloro-N-(4-trifluoromethyl)phenyl)-[1,2,4]triaz...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(Cl)nc3ncnn23)cc1
Show InChI InChI=1S/C12H7ClF3N5/c13-9-5-10(21-11(20-9)17-6-18-21)19-8-3-1-7(2-4-8)12(14,15)16/h1-6,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345421
PNG
(CHEMBL600255 | N-(4-isopropylphenyl)-5-methyl-[1,2...)
Show SMILES CC(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345437
PNG
(6-ethyl-N-(4-isopropylphenyl)-5-methyl-[1,2,4]tria...)
Show SMILES CCc1c(C)nc2ncnn2c1Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C17H21N5/c1-5-15-12(4)20-17-18-10-19-22(17)16(15)21-14-8-6-13(7-9-14)11(2)3/h6-11,21H,5H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345439
PNG
(5-methyl-6-propyl-N-p-tolyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES CCCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1
Show InChI InChI=1S/C16H19N5/c1-4-5-14-12(3)19-16-17-10-18-21(16)15(14)20-13-8-6-11(2)7-9-13/h6-10,20H,4-5H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345398
PNG
(CHEMBL1784582 | N-Cyclopropyl-5-methyl-[1,2,4]tria...)
Show SMILES Cc1cc(NC2CC2)n2ncnc2n1
Show InChI InChI=1S/C9H11N5/c1-6-4-8(13-7-2-3-7)14-9(12-6)10-5-11-14/h4-5,7,13H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345403
PNG
(CHEMBL1784579 | N-(Benzo[d][1,3]dioxol-5-yl)-5-met...)
Show SMILES Cc1cc(Nc2ccc3OCOc3c2)n2ncnc2n1
Show InChI InChI=1S/C13H11N5O2/c1-8-4-12(18-13(16-8)14-6-15-18)17-9-2-3-10-11(5-9)20-7-19-10/h2-6,17H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345412
PNG
(CHEMBL582694 | GNF-Pf-2905 | N1,N1-Dimethyl-N4-(5-...)
Show SMILES CN(C)c1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C14H16N6/c1-10-8-13(20-14(17-10)15-9-16-20)18-11-4-6-12(7-5-11)19(2)3/h4-9,18H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345420
PNG
(CHEMBL1784561 | N-(4-tert-Butylphenyl)-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C)n2ncnc2n1
Show InChI InChI=1S/C16H19N5/c1-11-9-14(21-15(19-11)17-10-18-21)20-13-7-5-12(6-8-13)16(2,3)4/h5-10,20H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345418
PNG
(CHEMBL1784563 | N-(4-Vinylphenyl)-5-methyl-[1,2,4]...)
Show SMILES Cc1cc(Nc2ccc(C=C)cc2)n2ncnc2n1
Show InChI InChI=1S/C14H13N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h3-9,18H,1H2,2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345429
PNG
(CHEMBL1784587 | N-Cyclooctyl-5-methyl-[1,2,4]triaz...)
Show SMILES Cc1cc(NC2CCCCCCC2)n2ncnc2n1
Show InChI InChI=1S/C14H21N5/c1-11-9-13(19-14(17-11)15-10-16-19)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345431
PNG
(CHEMBL1529387 | N-benzyl-5-methyl-[1,2,4]triazolo[...)
Show SMILES Cc1cc(NCc2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C13H13N5/c1-10-7-12(18-13(17-10)15-9-16-18)14-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345410
PNG
(CHEMBL1784570 | N-(4-Morpholinophenyl)-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(cc2)N2CCOCC2)n2ncnc2n1
Show InChI InChI=1S/C16H18N6O/c1-12-10-15(22-16(19-12)17-11-18-22)20-13-2-4-14(5-3-13)21-6-8-23-9-7-21/h2-5,10-11,20H,6-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345428
PNG
(CHEMBL1784586 | N-Cycloheptyl-5-methyl-[1,2,4]tria...)
Show SMILES Cc1cc(NC2CCCCCC2)n2ncnc2n1
Show InChI InChI=1S/C13H19N5/c1-10-8-12(18-13(16-10)14-9-15-18)17-11-6-4-2-3-5-7-11/h8-9,11,17H,2-7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345414
PNG
(CHEMBL1784567 | N-(4-Pentafluorosulfenylphenyl)-5-...)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C12H10F5N5S/c1-8-6-11(22-12(20-8)18-7-19-22)21-9-2-4-10(5-3-9)23(13,14,15,16)17/h2-7,21H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345404
PNG
(CHEMBL1784576 | N-(3,4-Bis(trifluoromethyl)phenyl)...)
Show SMILES Cc1cc(Nc2ccc(c(c2)C(F)(F)F)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345440
PNG
(CHEMBL1784717 | N-(3-fluoro-4-methylphenyl)-6,7-di...)
Show SMILES Cc1ccc(Nc2c3CCCc3nc3ncnn23)cc1F
Show InChI InChI=1S/C15H14FN5/c1-9-5-6-10(7-12(9)16)19-14-11-3-2-4-13(11)20-15-17-8-18-21(14)15/h5-8,19H,2-4H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345435
PNG
(5-(Trifluoromethyl)-N-(4-trifluoromethyl)phenyl)-[...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(nc3ncnn23)C(F)(F)F)cc1
Show InChI InChI=1S/C13H7F6N5/c14-12(15,16)7-1-3-8(4-2-7)22-10-5-9(13(17,18)19)23-11-20-6-21-24(10)11/h1-6,22H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345434
PNG
(5-Ethyl-N-(4-trifluoromethyl)phenyl-[1,2,4]triazol...)
Show SMILES CCc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h3-8,20H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345430
PNG
(CHEMBL1784596 | N-(5-Methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(NOc2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C12H11N5O/c1-9-7-11(17-12(15-9)13-8-14-17)16-18-10-5-3-2-4-6-10/h2-8,16H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345401
PNG
(CHEMBL1784555 | N-(4-Propylphenyl)-5-methyl-[1,2,4...)
Show SMILES CCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C15H17N5/c1-3-4-12-5-7-13(8-6-12)19-14-9-11(2)18-15-16-10-17-20(14)15/h5-10,19H,3-4H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345443
PNG
(CHEMBL586157 | N-(2,3-Dihydro1H-inden-5-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3CCCc3c2)n2ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-10-7-14(20-15(18-10)16-9-17-20)19-13-6-5-11-3-2-4-12(11)8-13/h5-9,19H,2-4H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345439
PNG
(5-methyl-6-propyl-N-p-tolyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES CCCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1
Show InChI InChI=1S/C16H19N5/c1-4-5-14-12(3)19-16-17-10-18-21(16)15(14)20-13-8-6-11(2)7-9-13/h6-10,20H,4-5H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345438
PNG
(6-ethyl-5-methyl-N-(4-(trifluoromethoxy)phenyl)-[1...)
Show SMILES CCc1c(C)nc2ncnn2c1Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H14F3N5O/c1-3-12-9(2)21-14-19-8-20-23(14)13(12)22-10-4-6-11(7-5-10)24-15(16,17)18/h4-8,22H,3H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345433
PNG
(5-methyl-N-(4-(trifluoromethyl)benzyl)-[1,2,4]tria...)
Show SMILES Cc1cc(NCc2ccc(cc2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-9-6-12(22-13(21-9)19-8-20-22)18-7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8,18H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345419
PNG
(CHEMBL1784562 | N-(4-Cyclopropylphenyl)-5-methyl-[...)
Show SMILES Cc1cc(Nc2ccc(cc2)C2CC2)n2ncnc2n1
Show InChI InChI=1S/C15H15N5/c1-10-8-14(20-15(18-10)16-9-17-20)19-13-6-4-12(5-7-13)11-2-3-11/h4-9,11,19H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum)
BDBM50345432
PNG
(CHEMBL1784706 | N-(4-fluorobenzyl)-5-methyl-[1,2,4...)
Show SMILES Cc1cc(NCc2ccc(F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-2-4-11(14)5-3-10/h2-6,8,15H,7H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345400
PNG
(CHEMBL1784556 | N-(4-Butylphenyl)-5-methyl-[1,2,4]...)
Show SMILES CCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C16H19N5/c1-3-4-5-13-6-8-14(9-7-13)20-15-10-12(2)19-16-17-11-18-21(15)16/h6-11,20H,3-5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50345417
PNG
(CHEMBL1784564 | N-(4-Ethynylphenyl)-5-methyl-[1,2,...)
Show SMILES Cc1cc(Nc2ccc(cc2)C#C)n2ncnc2n1
Show InChI InChI=1S/C14H11N5/c1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14/h1,4-9,18H,2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 t...


J Med Chem 54: 3935-49 (2011)


Article DOI: 10.1021/jm200265b
BindingDB Entry DOI: 10.7270/Q2FN16HS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%