BDBM45287 MLS000068092::N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide::N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(1-cyclopentyltetrazol-5-yl)thio]acetamide::N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(1-cyclopentyl-5-tetrazolyl)thio]acetamide::N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide::N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide::SMR000008178::cid_644712

SMILES Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C

InChI Key InChIKey=IWBIXXVPFAVKEO-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 = 45287   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45287BDBM45287(N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclope...)
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