BDBM47564 (E)-2-(4-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile::(E)-2-(4-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile::(E)-2-(4-bromophenyl)-3-(2,5-dimethoxy-4-pyrrolidino-phenyl)acrylonitrile::(E)-2-(4-bromophenyl)-3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile::2-(4-bromophenyl)-3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]acrylonitrile::MLS000594113::SMR000143232::cid_2192212

SMILES COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1

InChI Key InChIKey=MAKGPAYHRUYZJF-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 47564   

LigandPNGBDBM47564(cid_2192212 | SMR000143232 | MLS000594113 | (E)-2-...)
Affinity DataEC50:  74.5nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM47564(cid_2192212 | SMR000143232 | MLS000594113 | (E)-2-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay