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Compile Data Set for Download or QSAR

Found 54 hits from BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; MMV MEDICINES FOR MALARIA VENTURE; UNIVERSITY OF WASHINGTON   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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
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n/an/a 20n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 22n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 28n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
BDBM50365230
PNG
(CHEMBL1956285 | US9238653, Table 5, Compound 10)
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
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n/an/a 30n/an/an/an/an/an/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 (DHODH)


(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
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n/an/a 32n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 35n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 35n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 38n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 42n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 43n/an/an/an/an/an/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 (DHODH)


(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
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n/an/a 60n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 75n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 77n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 90n/an/an/an/an/an/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 (DHODH)


(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
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n/an/a 90n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 93n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 100n/an/an/an/an/an/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 (DHODH)


(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
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n/an/a 100n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 110n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(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
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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 (DHODH)


(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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(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
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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 (DHODH)


(Plasmodium falciparum)
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
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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 (DHODH)


(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
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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 (DHODH)


(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
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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 (DHODH)


(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
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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 (DHODH)


(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
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n/an/a 630n/an/an/an/an/an/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 (DHODH)


(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
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n/an/a 670n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 740n/an/an/an/an/an/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 (DHODH)


(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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n/an/a 990n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 1.00E+3n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 1.20E+3n/an/an/an/an/an/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 (DHODH)


(Plasmodium falciparum)
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
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n/an/a 1.20E+3n/an/an/an/an/an/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 (DHODH)


(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 1.43E+3n/an/an/an/an/an/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 (DHODH)


(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 1.66E+3n/an/an/an/an/an/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 (DHODH)


(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



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
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