new BindingDB logo
myBDB logout

BDBM50054600 (Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-trifluoromethyl-phenyl)-amide::2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)penta-2,4-dienamide::CHEMBL141047

SMILES: FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C=C)cc1

InChI Key: InChIKey=QPHLDGYCSPSWEZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50054600   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
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
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
Inhibition of rat DHODH


Bioorg Med Chem Lett 16: 6024-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.125
BindingDB Entry DOI: 10.7270/Q2MS3SFM
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
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
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
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
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


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair