BDBM50315004 4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenoxy)butanenitrile::4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile::CHEMBL1089137

SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1

InChI Key InChIKey=CERJQPWNRISSQS-UHFFFAOYSA-N

Data  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50315004   

TargetBeta-secretase 1(Homo sapiens (Human))
Wyeth

Curated by ChEMBL
LigandPNGBDBM50315004(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Affinity DataIC50:  420nMAssay Description:Inhibition of human recombinant BACE1 expressed CHO cells by FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Wyeth

Curated by ChEMBL
LigandPNGBDBM50315004(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Affinity DataIC50:  7.10E+3nMAssay Description:Inhibition of BACE2 by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Wyeth

Curated by ChEMBL
LigandPNGBDBM50315004(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Affinity DataEC50:  5.20E+3nMAssay Description:Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed