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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50003041   
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 (fumarate)


(Leishmania major)
BDBM50466101
PNG
(CHEMBL4279879)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](CC(C)=C1C(=O)C=C(C)[C@]21[H])OC(=O)C(\C)=C\C |r,t:13,17|
Show InChI InChI=1S/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,14,16-18H,5,8H2,1-4H3/b9-6+/t14-,16+,17-,18-/m1/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466101
PNG
(CHEMBL4279879)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](CC(C)=C1C(=O)C=C(C)[C@]21[H])OC(=O)C(\C)=C\C |r,t:13,17|
Show InChI InChI=1S/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,14,16-18H,5,8H2,1-4H3/b9-6+/t14-,16+,17-,18-/m1/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.99E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466096
PNG
(CHEMBL4278902)
Show SMILES [H][C@]12O[C@]1(C)CCC(=O)[C@@](C)(C[C@H](OC(C)=O)C1=C(COC(C)=O)C(=O)O[C@]21[H])OC(C)=O |r,c:18|
Show InChI InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1
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n/an/a 3.09E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466103
PNG
(CHEBI:15417 | Kauren-19-Oic Acid | Kaurenoic Acid)
Show SMILES [H][C@@]12C[C@]3(CC1=C)CC[C@]1([H])[C@@](C)(CCC[C@@]1(C)[C@]3([H])CC2)C(O)=O |r,TLB:6:5:2:18.21.20|
Show InChI InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466103
PNG
(CHEBI:15417 | Kauren-19-Oic Acid | Kaurenoic Acid)
Show SMILES [H][C@@]12C[C@]3(CC1=C)CC[C@]1([H])[C@@](C)(CCC[C@@]1(C)[C@]3([H])CC2)C(O)=O |r,TLB:6:5:2:18.21.20|
Show InChI InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466096
PNG
(CHEMBL4278902)
Show SMILES [H][C@]12O[C@]1(C)CCC(=O)[C@@](C)(C[C@H](OC(C)=O)C1=C(COC(C)=O)C(=O)O[C@]21[H])OC(C)=O |r,c:18|
Show InChI InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 7.32E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 7.94E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 9.37E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a 9.83E+4n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50378582
PNG
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466115
PNG
(1Beta,2Alpha-Epoxytagitinin C | CHEMBL516873)
Show SMILES [H][C@@]12O[C@@]1([H])[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@]1([H])C(=C)C(=O)O[C@]1([H])\C=C(C)/C2=O |r,t:27|
Show InChI InChI=1S/C19H24O7/c1-8(2)17(21)25-12-7-19(5,23)16-15(26-16)14(20)9(3)6-11-13(12)10(4)18(22)24-11/h6,8,11-13,15-16,23H,4,7H2,1-3,5H3/b9-6-/t11-,12-,13+,15+,16-,19-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466115
PNG
(1Beta,2Alpha-Epoxytagitinin C | CHEMBL516873)
Show SMILES [H][C@@]12O[C@@]1([H])[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@]1([H])C(=C)C(=O)O[C@]1([H])\C=C(C)/C2=O |r,t:27|
Show InChI InChI=1S/C19H24O7/c1-8(2)17(21)25-12-7-19(5,23)16-15(26-16)14(20)9(3)6-11-13(12)10(4)18(22)24-11/h6,8,11-13,15-16,23H,4,7H2,1-3,5H3/b9-6-/t11-,12-,13+,15+,16-,19-/m1/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50378582
PNG
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466095
PNG
(CHEMBL4286822)
Show SMILES [H][C@@]12C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@]1([H])C(=C)C(=O)O2)O3 |r,t:5|
Show InChI InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3/t10-,13+,14-,16-,19+/m0/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50433423
PNG
(GOIAZENSOLIDE | Goyazensolide)
Show SMILES CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:11,18|
Show InChI InChI=1S/C19H20O7/c1-9(2)17(22)25-14-7-19(4)15(21)6-12(26-19)11(8-20)5-13-16(14)10(3)18(23)24-13/h5-6,13-14,16,20H,1,3,7-8H2,2,4H3/b11-5-/t13-,14+,16+,19-/m1/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466095
PNG
(CHEMBL4286822)
Show SMILES [H][C@@]12C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@]1([H])C(=C)C(=O)O2)O3 |r,t:5|
Show InChI InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3/t10-,13+,14-,16-,19+/m0/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50433423
PNG
(GOIAZENSOLIDE | Goyazensolide)
Show SMILES CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:11,18|
Show InChI InChI=1S/C19H20O7/c1-9(2)17(22)25-14-7-19(4)15(21)6-12(26-19)11(8-20)5-13-16(14)10(3)18(23)24-13/h5-6,13-14,16,20H,1,3,7-8H2,2,4H3/b11-5-/t13-,14+,16+,19-/m1/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466113
PNG
(CHEMBL370488)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)[C@]1([H])C(=O)C=C(C)[C@]21[H])OC(=O)C(C)=C |t:19|
Show InChI InChI=1S/C19H22O6/c1-8(2)17(21)24-12-7-19(5,23)15-11(20)6-9(3)13(15)16-14(12)10(4)18(22)25-16/h6,12-16,23H,1,4,7H2,2-3,5H3/t12-,13+,14-,15-,16-,19-/m1/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50088447
PNG
((+)-Artemisinin | CHEBI:223316)
Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 |r|
Show InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50362884
PNG
(CHEMBL402947 | Spiraeoside (5))
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50362884
PNG
(CHEMBL402947 | Spiraeoside (5))
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
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n/an/a 1.63E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466113
PNG
(CHEMBL370488)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)[C@]1([H])C(=O)C=C(C)[C@]21[H])OC(=O)C(C)=C |t:19|
Show InChI InChI=1S/C19H22O6/c1-8(2)17(21)24-12-7-19(5,23)15-11(20)6-9(3)13(15)16-14(12)10(4)18(22)25-16/h6,12-16,23H,1,4,7H2,2-3,5H3/t12-,13+,14-,15-,16-,19-/m1/s1
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n/an/a 1.68E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50088447
PNG
((+)-Artemisinin | CHEBI:223316)
Show SMILES [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 |r|
Show InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466092
PNG
(CHEMBL4287504)
Show SMILES O[C@H]1CC[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O15/c28-10-6-14(32)18-16(7-10)40-25(9-1-2-11(29)13(31)5-9)26(22(18)36)42-27-24(38)23(37)21(35)17(41-27)8-39-15-4-3-12(30)19(33)20(15)34/h1-2,5-7,12,15,17,19-21,23-24,27-35,37-38H,3-4,8H2/t12-,15+,17+,19-,20-,21+,23-,24+,27-/m0/s1
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n/an/a 1.99E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466092
PNG
(CHEMBL4287504)
Show SMILES O[C@H]1CC[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O15/c28-10-6-14(32)18-16(7-10)40-25(9-1-2-11(29)13(31)5-9)26(22(18)36)42-27-24(38)23(37)21(35)17(41-27)8-39-15-4-3-12(30)19(33)20(15)34/h1-2,5-7,12,15,17,19-21,23-24,27-35,37-38H,3-4,8H2/t12-,15+,17+,19-,20-,21+,23-,24+,27-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM84981
PNG
(Luteolin-7,3',4'-trimethylether)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM84981
PNG
(Luteolin-7,3',4'-trimethylether)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3
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n/an/a 2.17E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50433422
PNG
(BUDLEIN A)
Show SMILES C\C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:12,19|
Show InChI InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5+,12-6-/t14-,15-,17+,20-/m1/s1
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
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n/an/a 2.62E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50433422
PNG
(BUDLEIN A)
Show SMILES C\C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:12,19|
Show InChI InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5+,12-6-/t14-,15-,17+,20-/m1/s1
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n/an/a 2.63E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466116
PNG
(CHEMBL4159192)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@]1(C)OC(=CC1=O)\C(C)=C/2)OC(=O)C(C)=C |r,c:15,21|
Show InChI InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14+,16+,19-/m1/s1
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n/an/a 2.77E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466116
PNG
(CHEMBL4159192)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@]1(C)OC(=CC1=O)\C(C)=C/2)OC(=O)C(C)=C |r,c:15,21|
Show InChI InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14+,16+,19-/m1/s1
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n/an/a 2.78E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466118
PNG
(CHEMBL4290649)
Show SMILES [H][C@]12C[C@@]3(C)OC(=CC3=O)\C(C)=C/[C@@]3([H])OC(=O)[C@@](C)([C@]13[H])[C@](O)(O2)C(\C)=C/C |r,c:6,12|
Show InChI InChI=1S/C20H24O6/c1-6-11(3)20(23)19(5)16-13(24-17(19)22)7-10(2)12-8-15(21)18(4,25-12)9-14(16)26-20/h6-8,13-14,16,23H,9H2,1-5H3/b10-7-,11-6-/t13-,14+,16+,18-,19-,20-/m1/s1
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n/an/a 3.16E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466118
PNG
(CHEMBL4290649)
Show SMILES [H][C@]12C[C@@]3(C)OC(=CC3=O)\C(C)=C/[C@@]3([H])OC(=O)[C@@](C)([C@]13[H])[C@](O)(O2)C(\C)=C/C |r,c:6,12|
Show InChI InChI=1S/C20H24O6/c1-6-11(3)20(23)19(5)16-13(24-17(19)22)7-10(2)12-8-15(21)18(4,25-12)9-14(16)26-20/h6-8,13-14,16,23H,9H2,1-5H3/b10-7-,11-6-/t13-,14+,16+,18-,19-,20-/m1/s1
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n/an/a 3.46E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466111
PNG
(CHEBI:3768 | CHEMBL462825)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](CC(C)=CCC\C(CO)=C\2)OC(=O)C(=C)[C@@H](O)CO |r,t:19|
Show InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
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n/an/a 3.61E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 3.89E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM16430
PNG
((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...)
Show SMILES OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
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n/an/a 3.92E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50433428
PNG
(TAGITININ C)
Show SMILES CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 |r,c:16,t:11|
Show InChI InChI=1S/C19H24O6/c1-10(2)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h6-8,10,14-16,23H,4,9H2,1-3,5H3/b7-6+,11-8-/t14-,15-,16+,19+/m1/s1
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466100
PNG
(CHEMBL4281688)
Show SMILES C[C@](OC(=O)\C=C\c1ccc(O)c(O)c1)([C@@H](O)CO)C(O)=O |r|
Show InChI InChI=1S/C14H16O8/c1-14(13(20)21,11(18)7-15)22-12(19)5-3-8-2-4-9(16)10(17)6-8/h2-6,11,15-18H,7H2,1H3,(H,20,21)/b5-3+/t11-,14-/m0/s1
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50214744
PNG
((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466111
PNG
(CHEBI:3768 | CHEMBL462825)
Show SMILES [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](CC(C)=CCC\C(CO)=C\2)OC(=O)C(=C)[C@@H](O)CO |r,t:19|
Show InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM16430
PNG
((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...)
Show SMILES OC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
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University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM50466093
PNG
(CHEMBL4278464)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)CC[C@@H](CC)C(C)C |r,t:9|
Show InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (fumarate)


(Leishmania major)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 3.98E+5n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...


Eur J Med Chem 157: 852-866 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.033
BindingDB Entry DOI: 10.7270/Q2FJ2KFS
More data for this
Ligand-Target Pair
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