BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50407985
PNG
(CHEMBL2111978)
Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054601
PNG
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054548
PNG
((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054584
PNG
((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054553
PNG
((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C#N
Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054594
PNG
((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054587
PNG
((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...)
Show SMILES O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM29024
PNG
(CHEMBL141732 | cyanocyclopropylpropenamide, 4)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054557
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1
Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054560
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054578
PNG
((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Br
Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054565
PNG
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)
Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=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/h2-5,10H,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054564
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...)
Show SMILES CCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054585
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054573
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Sc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=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/h2-5,10H,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 156n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054549
PNG
((Z)-N-(5-Bromo-pyridin-2-yl)-2-cyano-3-cyclopropyl...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10BrN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054597
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054556
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054574
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O3/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054600
PNG
((Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C=C)cc1
Show InChI InChI=1S/C13H9F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h2-6,10H,1H2,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054590
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1SC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2S/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054543
PNG
((Z)-2-Cyano-3-hydroxy-4-methyl-penta-2,4-dienoic a...)
Show SMILES CC(=C)C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,11H,1H2,2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054555
PNG
((Z)-N-(5-Chloro-pyridin-2-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054550
PNG
((Z)-2-Cyano-3-cyclobutyl-3-hydroxy-N-(4-trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1
Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)10-4-6-11(7-5-10)20-14(22)12(8-19)13(21)9-2-1-3-9/h4-7,9,12H,1-3H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 209n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054541
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F
Show InChI InChI=1S/C16H13F5N2O2/c1-8-6-10(4-5-12(8)15(17,18)16(19,20)21)23-14(25)11(7-22)13(24)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 282n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054591
PNG
((Z)-N-(3-Chloro-4-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-14(19)11(7-16)13(18)9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 282n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054547
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-p-tolyl-acry...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054581
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(22)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 417n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM15344
PNG
(2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H12F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1,3-4,7H,2,5-6H2,(H,28,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 422n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054552
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsul...)
Show SMILES CSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 445n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054599
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-trifluoro...)
Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(6-9)19-13(21)11(7-18)12(20)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 525n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054554
PNG
((Z)-N-[4-(4-Chloro-benzoyl)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-15-7-3-12(4-8-15)18(24)13-5-9-16(10-6-13)23-20(26)17(11-22)19(25)14-1-2-14/h3-10,14,17H,1-2H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 562n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054563
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenoxy-p...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O3/c20-12-17(18(22)13-6-7-13)19(23)21-14-8-10-16(11-9-14)24-15-4-2-1-3-5-15/h1-5,8-11,13,17H,6-7H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054589
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenethyl...)
Show SMILES O=C(Nc1ccc(CCc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,19H,6-7,10-11H2,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054561
PNG
((Z)-N-[4-(4-Chloro-phenoxy)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C19H15ClN2O3/c20-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)22-19(24)17(11-21)18(23)12-1-2-12/h3-10,12,17H,1-2H2,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 832n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054545
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES COC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C15H14N2O4/c1-21-15(20)10-4-6-11(7-5-10)17-14(19)12(8-16)13(18)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054603
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)25-19(27)17(11-24)18(26)12-1-2-12/h3-10,12,17H,1-2H2,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054569
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-phenyl-acryl...)
Show SMILES O=C(Nc1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C13H12N2O2/c14-8-11(12(16)9-6-7-9)13(17)15-10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM29026
PNG
(CHEMBL142996 | cyanocyclopropylpropenamide, 11)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,17H,6-7H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054562
PNG
((Z)-N-(6-Chloro-pyridin-3-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cn1
Show InChI InChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM15343
PNG
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054596
PNG
((Z)-2-Cyano-3-hydroxy-pent-2-en-4-ynoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C#C)cc1
Show InChI InChI=1S/C13H7F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h1,3-6,10H,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.09E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054598
PNG
(CHEMBL341721 | N-(4-Chloro-phenyl)-4-((Z)-2-cyano-...)
Show SMILES CN(C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-25(17-10-6-15(22)7-11-17)21(28)14-4-8-16(9-5-14)24-20(27)18(12-23)19(26)13-2-3-13/h4-11,13,18H,2-3H2,1H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.24E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 83 total )  |  Next  |  Last  >>
Jump to: