BindingDB logo
myBDB logout

USPatent US9238653

Compile data set for download or QSAR
Found 54 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 (isolate 3D7))		BDBM50018008
PNG
(CHEMBL3289671 | US9238653, Table 5, Compound 43)
Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C15H10F7N5/c1-6-3-10(27-13(23-6)25-12(26-27)14(2,18)19)24-7-4-8(16)11(9(17)5-7)15(20,21)22/h3-5,24H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 20n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50018006
PNG
(CHEMBL3289672 | US9238653, Table 5, Compound 49)
Show SMILES Cc1cc(Nc2cc(F)c(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C14H7F8N5/c1-5-2-9(27-12(23-5)25-11(26-27)14(20,21)22)24-6-3-7(15)10(8(16)4-6)13(17,18)19/h2-4,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
US Patent
n/an/a 22n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365232
PNG
(CHEMBL1956283 | US9238653, Table 5, Compound 54)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C14H12ClF2N5/c1-8-7-11(19-10-5-3-9(15)4-6-10)22-13(18-8)20-12(21-22)14(2,16)17/h3-7,19H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 28n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365230
PNG
(CHEMBL1956285 | US11903936, Compound DSM265 | US92...)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
US Patent
n/an/a 30n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Patents

Similars
US Patent
n/an/a 32n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365225
PNG
(CHEMBL1956290 | US9238653, Table 5, Compound 14)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C14H9F6N5/c1-7-6-10(22-9-4-2-8(3-5-9)13(15,16)17)25-12(21-7)23-11(24-25)14(18,19)20/h2-6,22H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 35n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50018007
PNG
(CHEMBL3289670 | US9238653, Table 5, Compound 42)
Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C15H11F6N5/c1-7-5-11(26-13(22-7)24-12(25-26)14(2,17)18)23-8-3-4-9(10(16)6-8)15(19,20)21/h3-6,23H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 35n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365231
PNG
(CHEMBL1738786 | US9238653, Table 5, Compound 7)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F
Show InChI InChI=1S/C15H12F5N5/c1-8-7-11(22-10-5-3-9(4-6-10)15(18,19)20)25-13(21-8)23-12(24-25)14(2,16)17/h3-7,22H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
US Patent
n/an/a 38n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173505
PNG
(US9238653, Table 5, Compound 44)
Show SMILES COc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1
Show InChI InChI=1S/C13H12F5N5OS/c1-8-7-11(23-12(19-8)21-13(22-23)24-2)20-9-3-5-10(6-4-9)25(14,15,16,17)18/h3-7,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 42n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173492
PNG
(US9238653, Table 5, Compound 15)
Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h6-9,22H,2-5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 43n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 60n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365226
PNG
(CHEMBL1956289 | US9238653, Table 5, Compound 52)
Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1
Show InChI InChI=1S/C15H14F7N5S/c1-3-15(16,17)13-25-14-23-9(2)8-12(27(14)26-13)24-10-4-6-11(7-5-10)28(18,19,20,21)22/h4-8,24H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 75n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50396723
PNG
(CHEMBL2172226 | US9238653, Table 5, Compound 2)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ccnc2n1
Show InChI InChI=1S/C14H11F3N4/c1-9-8-12(21-7-6-18-13(21)19-9)20-11-4-2-10(3-5-11)14(15,16)17/h2-8,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 77n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 90n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173488
PNG
(US9238653, Table 5, Compound 4)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C13H9ClF3N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 90n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365233
PNG
(CHEMBL1956279 | US9238653, Table 5, Compound 53)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C1CC1
Show InChI InChI=1S/C15H14F5N5S/c1-9-8-13(25-15(21-9)23-14(24-25)10-2-3-10)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-8,10,22H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 93n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Patents

Similars
US Patent
n/an/a 100n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365241
PNG
(CHEMBL1956269 | US9238653, Table 5, Compound 51)
Show SMILES CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1
Show InChI InChI=1S/C15H16F5N5S/c1-9(2)14-23-15-21-10(3)8-13(25(15)24-14)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-9,22H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 100n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365242
PNG
(CHEMBL1956268 | US9238653, Table 5, Compound 45)
Show SMILES CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1
Show InChI InChI=1S/C16H16F3N5/c1-9(2)14-22-15-20-10(3)8-13(24(15)23-14)21-12-6-4-11(5-7-12)16(17,18)19/h4-9,21H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 110n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365224
PNG
(CHEMBL1956291 | US9238653, Table 5, Compound 29)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 130n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173491
PNG
(US9238653, Table 5, Compound 12)
Show SMILES Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5/c1-7-3-4-9(6-10(7)15)20-11-5-8(2)19-13-21-12(14(16,17)18)22-23(11)13/h3-6,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 130n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173497
PNG
(US9238653, Table 5, Compound 21)
Show SMILES Cc1cc(Nc2ccc3CCCc3c2)n2ccnc2n1
Show InChI InChI=1S/C16H16N4/c1-11-9-15(20-8-7-17-16(20)18-11)19-14-6-5-12-3-2-4-13(12)10-14/h5-10,19H,2-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365234
PNG
(CHEMBL1956278 | US9238653, Table 5, Compound 47)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C1CC1
Show InChI InChI=1S/C16H14F3N5/c1-9-8-13(21-12-6-4-11(5-7-12)16(17,18)19)24-15(20-9)22-14(23-24)10-2-3-10/h4-8,10,21H,2-3H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 140n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173495
PNG
(US9238653, Table 5, Compound 18)
Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ccnc2n1
Show InChI InChI=1S/C14H10F4N4/c1-8-6-12(22-5-4-19-13(22)20-8)21-9-2-3-10(11(15)7-9)14(16,17)18/h2-7,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 140n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365243
PNG
(CHEMBL1956265 | US9238653, Table 5, Compound 50)
Show SMILES CCc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1
Show InChI InChI=1S/C14H14F5N5S/c1-3-12-22-14-20-9(2)8-13(24(14)23-12)21-10-4-6-11(7-5-10)25(15,16,17,18)19/h4-8,21H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 150n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Patents

Similars
US Patent
n/an/a 160n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM50365227
PNG
(CHEMBL1956288 | US9238653, Table 5, Compound 46)
Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1
Show InChI InChI=1S/C16H14F5N5/c1-3-15(17,18)13-24-14-22-9(2)8-12(26(14)25-13)23-11-6-4-10(5-7-11)16(19,20)21/h4-8,23H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 190n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 190n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173496
PNG
(US9238653, Table 5, Compound 19)
Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ccnc2n1
Show InChI InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 200n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173489
PNG
(US9238653, Table 5, Compound 5)
Show SMILES Cc1cc(C)cc(Nc2cc(C)nc3nc(nn23)C(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N5/c1-8-4-9(2)6-11(5-8)20-12-7-10(3)19-14-21-13(15(16,17)18)22-23(12)14/h4-7,20H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 220n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173490
PNG
(US9238653, Table 5, Compound 6)
Show SMILES CC(C)c1ccc(Nc2c3CCCc3nc3ncnn23)cc1
Show InChI InChI=1S/C17H19N5/c1-11(2)12-6-8-13(9-7-12)20-16-14-4-3-5-15(14)21-17-18-10-19-22(16)17/h6-11,20H,3-5H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 250n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 500n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173493
PNG
(US9238653, Table 5, Compound 16)
Show SMILES COc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1
Show InChI InChI=1S/C13H12ClN5O/c1-8-6-11(16-10-5-3-4-9(14)7-10)19-12(15-8)17-13(18-19)20-2/h3-7,16H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 500n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 500n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 510n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173502
PNG
(US9238653, Table 5, Compound 35)
Show SMILES Cc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1
Show InChI InChI=1S/C13H12F5N5S/c1-8-7-12(23-13(19-8)20-9(2)22-23)21-10-3-5-11(6-4-10)24(14,15,16,17)18/h3-7,21H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 510n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173503
PNG
(US9238653, Table 5, Compound 36)
Show SMILES Cc1cc(Nc2ccc(Cl)c(F)c2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C13H8ClF4N5/c1-6-4-10(20-7-2-3-8(14)9(15)5-7)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 520n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 540n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 610n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 610n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 630n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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/SwissProt

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

Similars
US Patent
n/an/a 670n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173500
PNG
(US9238653, Table 5, Compound 30)
Show SMILES Cc1cc(Nc2ccc(F)cc2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C13H9F4N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 740n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 990n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173498
PNG
(US9238653, Table 5, Compound 24)
Show SMILES Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H13F2N5/c1-8-2-14(22-15(20-8)18-7-19-22)21-11-3-9-5-12(16)13(17)6-10(9)4-11/h2,5-7,11,21H,3-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.00E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173504
PNG
(US9238653, Table 5, Compound 41)
Show SMILES Cc1cc(NC2CCc3ccccc3C2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N5/c1-10-8-14(25-16(21-10)23-15(24-25)17(18,19)20)22-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8,13,22H,6-7,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.20E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173494
PNG
(US9238653, Table 5, Compound 17)
Show SMILES Cc1cc(NC2Cc3cc(Cl)c(Cl)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C15H13Cl2N5/c1-8-2-14(22-15(20-8)18-7-19-22)21-11-3-9-5-12(16)13(17)6-10(9)4-11/h2,5-7,11,21H,3-4H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.20E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.43E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.66E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 1.70E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173501
PNG
(US9238653, Table 5, Compound 31)
Show SMILES Brc1ccc(Nc2c3CCCCc3nc3ncnn23)cc1
Show InChI InChI=1S/C15H14BrN5/c16-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)20-15-17-9-18-21(14)15/h5-9,19H,1-4H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.12E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.47E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.17E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))		BDBM173499
PNG
(US9238653, Table 5, Compound 27)
Show SMILES Cc1cc(NC2Cc3cc(CO)c(CO)cc3C2)n2ncnc2n1
Show InChI InChI=1S/C17H19N5O2/c1-10-2-16(22-17(20-10)18-9-19-22)21-15-5-11-3-13(7-23)14(8-24)4-12(11)6-15/h2-4,9,15,21,23-24H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.62E+3n/an/an/an/a8.0n/a



BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON

US Patent


Assay Description
For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002)...

US Patent US9238653 (2016)


BindingDB Entry DOI: 10.7270/Q2D79954
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%