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BDBM50324056 2-Amino-6-dimethylamino-4-phenylpyridine-3,5-dicarbonitrile::CHEMBL1214957

SMILES: CN(C)c1nc(N)c(C#N)c(-c2ccccc2)c1C#N

InChI Key: InChIKey=VRSXWMVVYDRJLI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50324056   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50324056
PNG
(2-Amino-6-dimethylamino-4-phenylpyridine-3,5-dicar...)
Show SMILES CN(C)c1nc(N)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C15H13N5/c1-20(2)15-12(9-17)13(10-6-4-3-5-7-10)11(8-16)14(18)19-15/h3-7H,1-2H3,(H2,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE after 10 mins by Ellman's method


Bioorg Med Chem 18: 5861-72 (2010)


Article DOI: 10.1016/j.bmc.2010.06.095
BindingDB Entry DOI: 10.7270/Q23J3D5D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50324056
PNG
(2-Amino-6-dimethylamino-4-phenylpyridine-3,5-dicar...)
Show SMILES CN(C)c1nc(N)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C15H13N5/c1-20(2)15-12(9-17)13(10-6-4-3-5-7-10)11(8-16)14(18)19-15/h3-7H,1-2H3,(H2,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method


Bioorg Med Chem 18: 5861-72 (2010)


Article DOI: 10.1016/j.bmc.2010.06.095
BindingDB Entry DOI: 10.7270/Q23J3D5D
More data for this
Ligand-Target Pair