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BDBM50054552 (Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsulfanyl-phenyl)-acrylamide::CHEMBL143816

SMILES: CSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1

InChI Key: InChIKey=MOXHJPCGLKALOZ-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50054552   
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))
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=1/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
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

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)
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=1/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
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Hoechst Marion Roussel Inc

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