BDBM50108879 (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide::(E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide::CHEMBL953::Comtess::ENTACAPONE::N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide

SMILES CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N

InChI Key InChIKey=JRURYQJSLYLRLN-BJMVGYQFSA-N

Data  13 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50108879   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  12.8nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  2.32E+6nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  2.32E+3nMAssay Description:Inhibitory activity against COMT in rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  1.28E+4nMAssay Description:Inhibitory activity against COMT in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Rattus norvegicus)
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  386nMAssay Description:Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  230nMAssay Description:Inhibition of rat liver COMT using esculetin as substrate by fluorescence based spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  6.80E+3nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  5.56E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  3.47nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  34nMAssay Description:Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50108879((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...)
Affinity DataIC50:  3.51E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed