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(c(c(c1)O)O)[N+](=O)[O-])/C#N

InChI Key: InChIKey=JRURYQJSLYLRLN-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 50108879   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATP-binding cassette sub-family C member 2 (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.47	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	n/a
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.32E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-ketoglutarate-dependent dioxygenase FTO (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Alpha-ketoglutarate-dependent dioxygenase FTO (Human)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Lanosterol synthase (Rat)	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
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