BDBM45737 2-(1-{2-oxo-2-[(4-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid::2-[1-[2-keto-2-(4-pyridylmethylamino)ethyl]cyclohexyl]acetic acid::2-[1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]ethanoic acid::2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]acetic acid::MLS000850847::SMR000456864::cid_2738272

SMILES OC(=O)CC1(CC(=O)NCc2ccncc2)CCCCC1

InChI Key InChIKey=WEPDJJVYPSJSOS-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 45737   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45737(2-[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclo...)
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:
5/27/2011
Entry Details
PCBioAssay