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Compile Data Set for Download or QSAR

Found 54 hits from East China University of Science and Techology   
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


(Homo sapiens (Human))
BDBM50071796
PNG
(CHEMBL3410609)
Show SMILES CCOC(=O)c1sc(Nc2ccc3CCCCc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H22N2O2S/c1-2-26-21(25)20-19(16-9-4-3-5-10-16)24-22(27-20)23-18-13-12-15-8-6-7-11-17(15)14-18/h3-5,9-10,12-14H,2,6-8,11H2,1H3,(H,23,24)
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n/an/a 18n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071581
PNG
(CHEMBL3410607)
Show SMILES CCOC(=O)c1sc(Nc2ccc3CCCc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C21H20N2O2S/c1-2-25-20(24)19-18(15-7-4-3-5-8-15)23-21(26-19)22-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071797
PNG
(CHEMBL3410610)
Show SMILES CCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H18N2O2S/c1-2-26-21(25)20-19(16-9-4-3-5-10-16)24-22(27-20)23-18-13-12-15-8-6-7-11-17(15)14-18/h3-14H,2H2,1H3,(H,23,24)
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n/an/a 29n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071622
PNG
(CHEMBL3410596)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-3-24-18(23)17-16(13-7-5-4-6-8-13)22-19(25-17)21-14-10-9-12(2)15(20)11-14/h4-11H,3H2,1-2H3,(H,21,22)
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n/an/a 35n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071623
PNG
(CHEMBL3410595)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1-c1ccccc1
Show InChI InChI=1S/C19H17FN2O2S/c1-3-24-18(23)17-16(13-7-5-4-6-8-13)22-19(25-17)21-14-10-9-12(2)15(20)11-14/h4-11H,3H2,1-2H3,(H,21,22)
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n/an/a 49n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071624
PNG
(CHEMBL3410594)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1-c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-4-24-19(23)18-17(15-8-6-5-7-9-15)22-20(25-18)21-16-11-10-13(2)14(3)12-16/h5-12H,4H2,1-3H3,(H,21,22)
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n/an/a 58n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071600
PNG
(CHEMBL3410603)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Br)c(c2)C(F)(F)F)nc1-c1ccccc1
Show InChI InChI=1S/C19H14BrF3N2O2S/c1-2-27-17(26)16-15(11-6-4-3-5-7-11)25-18(28-16)24-12-8-9-14(20)13(10-12)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)
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n/an/a 128n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071601
PNG
(CHEMBL3410602)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Cl)c(c2)C(F)(F)F)nc1-c1ccccc1
Show InChI InChI=1S/C19H14ClF3N2O2S/c1-2-27-17(26)16-15(11-6-4-3-5-7-11)25-18(28-16)24-12-8-9-14(20)13(10-12)19(21,22)23/h3-10H,2H2,1H3,(H,24,25)
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n/an/a 131n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50018011
PNG
(Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE)
Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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n/an/a 163n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071599
PNG
(CHEMBL3410604)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C18H14Cl2N2O2S/c1-2-24-17(23)16-15(11-6-4-3-5-7-11)22-18(25-16)21-12-8-9-13(19)14(20)10-12/h3-10H,2H2,1H3,(H,21,22)
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n/an/a 174n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071604
PNG
(CHEMBL3410599)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-23-17(22)16-15(12-6-4-3-5-7-12)21-18(24-16)20-14-10-8-13(19)9-11-14/h3-11H,2H2,1H3,(H,20,21)
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n/an/a 239n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071602
PNG
(CHEMBL3410601)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2)C(C)(C)C)nc1-c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-5-26-20(25)19-18(15-9-7-6-8-10-15)24-21(27-19)23-17-13-11-16(12-14-17)22(2,3)4/h6-14H,5H2,1-4H3,(H,23,24)
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n/an/a 284n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071803
PNG
(CHEMBL3410616)
Show SMILES CCOC(=O)c1sc(Nc2c(F)cc(cc2F)-c2cccc(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C25H20F2N2O3S/c1-3-32-24(30)23-21(15-8-5-4-6-9-15)28-25(33-23)29-22-19(26)13-17(14-20(22)27)16-10-7-11-18(12-16)31-2/h4-14H,3H2,1-2H3,(H,28,29)
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n/an/a 311n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071630
PNG
(CHEMBL3410588)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C1CC1
Show InChI InChI=1S/C17H20N2O2S/c1-4-21-16(20)15-14(12-6-7-12)19-17(22-15)18-13-8-5-10(2)11(3)9-13/h5,8-9,12H,4,6-7H2,1-3H3,(H,18,19)
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n/an/a 325n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071628
PNG
(CHEMBL3410590)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C1CC1
Show InChI InChI=1S/C16H17ClN2O2S/c1-3-21-15(20)14-13(10-5-6-10)19-16(22-14)18-11-7-4-9(2)12(17)8-11/h4,7-8,10H,3,5-6H2,1-2H3,(H,18,19)
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n/an/a 372n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071598
PNG
(CHEMBL3410605)
Show SMILES CCOC(=O)c1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C18H14Cl2N2O2S/c1-2-24-17(23)16-15(11-6-4-3-5-7-11)22-18(25-16)21-14-9-12(19)8-13(20)10-14/h3-10H,2H2,1H3,(H,21,22)
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n/an/a 393n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071603
PNG
(CHEMBL3410600)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2)C(F)(F)F)nc1-c1ccccc1
Show InChI InChI=1S/C19H15F3N2O2S/c1-2-26-17(25)16-15(12-6-4-3-5-7-12)24-18(27-16)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,2H2,1H3,(H,23,24)
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n/an/a 408n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071798
PNG
(CHEMBL3410611)
Show SMILES CCOC(=O)c1sc(Nc2ccc3cc4ccccc4cc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C26H20N2O2S/c1-2-30-25(29)24-23(17-8-4-3-5-9-17)28-26(31-24)27-22-13-12-20-14-18-10-6-7-11-19(18)15-21(20)16-22/h3-16H,2H2,1H3,(H,27,28)
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n/an/a 453n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071627
PNG
(CHEMBL3410591)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-7-22-16(21)14-15(18(4,5)6)20-17(23-14)19-13-9-8-11(2)12(3)10-13/h8-10H,7H2,1-6H3,(H,19,20)
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n/an/a 515n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071625
PNG
(CHEMBL3410593)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C(C)(C)C
Show InChI InChI=1S/C17H21ClN2O2S/c1-6-22-15(21)13-14(17(3,4)5)20-16(23-13)19-11-8-7-10(2)12(18)9-11/h7-9H,6H2,1-5H3,(H,19,20)
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n/an/a 552n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071788
PNG
(CHEMBL3410576)
Show SMILES CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
Show InChI InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)
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n/an/a 562n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071629
PNG
(CHEMBL3410589)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C1CC1
Show InChI InChI=1S/C16H17FN2O2S/c1-3-21-15(20)14-13(10-5-6-10)19-16(22-14)18-11-7-4-9(2)12(17)8-11/h4,7-8,10H,3,5-6H2,1-2H3,(H,18,19)
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n/an/a 645n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071626
PNG
(CHEMBL3410592)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C(C)(C)C
Show InChI InChI=1S/C17H21FN2O2S/c1-6-22-15(21)13-14(17(3,4)5)20-16(23-13)19-11-8-7-10(2)12(18)9-11/h7-9H,6H2,1-5H3,(H,19,20)
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n/an/a 652n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071606
PNG
(CHEMBL3410597)
Show SMILES CCOC(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C18H16N2O2S/c1-2-22-17(21)16-15(13-9-5-3-6-10-13)20-18(23-16)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20)
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n/an/a 784n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071782
PNG
(CHEMBL3410581)
Show SMILES CCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
Show InChI InChI=1S/C17H16N2O2S/c1-3-21-16(20)15-11(2)18-17(22-15)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3,(H,18,19)
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n/an/a 887n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071783
PNG
(CHEMBL3410580)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C
Show InChI InChI=1S/C14H15ClN2O2S/c1-4-19-13(18)12-9(3)16-14(20-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17)
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n/an/a 969n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071580
PNG
(CHEMBL3410608)
Show SMILES CCOC(=O)c1sc(Nc2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C19H16N2O4S/c1-2-23-18(22)17-16(12-6-4-3-5-7-12)21-19(26-17)20-13-8-9-14-15(10-13)25-11-24-14/h3-10H,2,11H2,1H3,(H,20,21)
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n/an/a 1.11E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071785
PNG
(CHEMBL3410578)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C
Show InChI InChI=1S/C15H18N2O2S/c1-5-19-14(18)13-11(4)16-15(20-13)17-12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3,(H,16,17)
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n/an/a 1.36E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071605
PNG
(CHEMBL3410598)
Show SMILES CCOC(=O)c1sc(Nc2ccc(OC)cc2)nc1-c1ccccc1
Show InChI InChI=1S/C19H18N2O3S/c1-3-24-18(22)17-16(13-7-5-4-6-8-13)21-19(25-17)20-14-9-11-15(23-2)12-10-14/h4-12H,3H2,1-2H3,(H,20,21)
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n/an/a 1.44E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071789
PNG
(CHEMBL3410575)
Show SMILES CC(=O)c1sc(Nc2ccc(Br)c(c2)C(F)(F)F)nc1C
Show InChI InChI=1S/C13H10BrF3N2OS/c1-6-11(7(2)20)21-12(18-6)19-8-3-4-10(14)9(5-8)13(15,16)17/h3-5H,1-2H3,(H,18,19)
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n/an/a 1.93E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071784
PNG
(CHEMBL3410579)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C
Show InChI InChI=1S/C14H15FN2O2S/c1-4-19-13(18)12-9(3)16-14(20-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17)
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n/an/a 1.99E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071781
PNG
(CHEMBL3410582)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1N
Show InChI InChI=1S/C14H17N3O2S/c1-4-19-13(18)11-12(15)17-14(20-11)16-10-6-5-8(2)9(3)7-10/h5-7H,4,15H2,1-3H3,(H,16,17)
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n/an/a 2.11E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071790
PNG
(CHEMBL3410574)
Show SMILES CC(=O)c1sc(Nc2ccc(Cl)c(c2)C(F)(F)F)nc1C
Show InChI InChI=1S/C13H10ClF3N2OS/c1-6-11(7(2)20)21-12(18-6)19-8-3-4-10(14)9(5-8)13(15,16)17/h3-5H,1-2H3,(H,18,19)
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n/an/a 2.35E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071793
PNG
(CHEMBL3410571)
Show SMILES CC(=O)c1sc(Nc2ccc(cc2)C(C)(C)C)nc1C
Show InChI InChI=1S/C16H20N2OS/c1-10-14(11(2)19)20-15(17-10)18-13-8-6-12(7-9-13)16(3,4)5/h6-9H,1-5H3,(H,17,18)
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n/an/a 3.65E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071792
PNG
(CHEMBL3410572)
Show SMILES CC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1C
Show InChI InChI=1S/C14H16N2OS/c1-8-5-6-12(7-9(8)2)16-14-15-10(3)13(18-14)11(4)17/h5-7H,1-4H3,(H,15,16)
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n/an/a 3.85E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50398645
PNG
(CHEMBL2178108)
Show SMILES CC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C
Show InChI InChI=1S/C13H13ClN2OS/c1-7-4-5-10(6-11(7)14)16-13-15-8(2)12(18-13)9(3)17/h4-6H,1-3H3,(H,15,16)
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n/an/a 3.94E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071756
PNG
(CHEMBL3410585)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Cl)c(c2)C(F)(F)F)nc1NC(=O)C1CC1
Show InChI InChI=1S/C17H15ClF3N3O3S/c1-2-27-15(26)12-13(23-14(25)8-3-4-8)24-16(28-12)22-9-5-6-11(18)10(7-9)17(19,20)21/h5-8H,2-4H2,1H3,(H,22,24)(H,23,25)
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n/an/a 6.04E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071747
PNG
(CHEMBL3410586)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1NC(=O)c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c1-4-27-20(26)17-18(23-19(25)15-8-6-5-7-9-15)24-21(28-17)22-16-11-10-13(2)14(3)12-16/h5-12H,4H2,1-3H3,(H,22,24)(H,23,25)
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n/an/a 9.03E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071786
PNG
(CHEMBL1460972)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Br)cc2)nc1C
Show InChI InChI=1S/C13H13BrN2O2S/c1-3-18-12(17)11-8(2)15-13(19-11)16-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,16)
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n/an/a 9.07E+3n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071806
PNG
(CHEMBL3410618)
Show SMILES CCOC(=O)c1sc(Nc2ccc(OCc3ccccc3)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O3S/c1-2-30-24(29)23-22(18-11-7-4-8-12-18)28-25(32-23)27-19-13-14-21(20(26)15-19)31-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071805
PNG
(CHEMBL3410617)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Oc3ccccc3)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C24H19ClN2O3S/c1-2-29-23(28)22-21(16-9-5-3-6-10-16)27-24(31-22)26-17-13-14-20(19(25)15-17)30-18-11-7-4-8-12-18/h3-15H,2H2,1H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071802
PNG
(CHEMBL3410615)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2F)-c2cccc(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C25H21FN2O3S/c1-3-31-24(29)23-22(16-8-5-4-6-9-16)28-25(32-23)27-21-13-12-18(15-20(21)26)17-10-7-11-19(14-17)30-2/h4-15H,3H2,1-2H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071801
PNG
(CHEMBL3410614)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2F)-c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H19FN2O2S/c1-2-29-23(28)22-21(17-11-7-4-8-12-17)27-24(30-22)26-20-14-13-18(15-19(20)25)16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,26,27)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071800
PNG
(CHEMBL3410613)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2)-c2cccc(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-3-30-24(28)23-22(18-8-5-4-6-9-18)27-25(31-23)26-20-14-12-17(13-15-20)19-10-7-11-21(16-19)29-2/h4-16H,3H2,1-2H3,(H,26,27)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071799
PNG
(CHEMBL3410612)
Show SMILES CCOC(=O)c1sc(Nc2ccc(cc2)-c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H20N2O2S/c1-2-28-23(27)22-21(19-11-7-4-8-12-19)26-24(29-22)25-20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16H,2H2,1H3,(H,25,26)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071795
PNG
(CHEMBL1235108)
Show SMILES CC(=O)c1sc(Nc2ccccc2)nc1C
Show InChI InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071794
PNG
(CHEMBL3410570)
Show SMILES CC(=O)c1sc(Nc2ccc(Br)cc2)nc1C
Show InChI InChI=1S/C12H11BrN2OS/c1-7-11(8(2)16)17-12(14-7)15-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,15)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071791
PNG
(CHEMBL3410573)
Show SMILES CC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C
Show InChI InChI=1S/C13H13FN2OS/c1-7-4-5-10(6-11(7)14)16-13-15-8(2)12(18-13)9(3)17/h4-6H,1-3H3,(H,15,16)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071787
PNG
(CHEMBL3410577)
Show SMILES CC(=O)c1sc(Nc2ccc3cc4ccccc4cc3c2)nc1C
Show InChI InChI=1S/C20H16N2OS/c1-12-19(13(2)23)24-20(21-12)22-18-8-7-16-9-14-5-3-4-6-15(14)10-17(16)11-18/h3-11H,1-2H3,(H,21,22)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50071807
PNG
(CHEMBL3410619)
Show SMILES CCOC(=O)c1sc(Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C25H19Cl2FN2O3S/c1-2-32-24(31)23-22(15-7-4-3-5-8-15)30-25(34-23)29-16-11-12-21(19(27)13-16)33-14-17-18(26)9-6-10-20(17)28/h3-13H,2,14H2,1H3,(H,29,30)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
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