BDBM45341 1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-fluorophenyl)-2-[[4-(2-furfuryl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone::MLS000083342::SMR000048652::cid_667293

SMILES Fc1ccc(cc1)C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1

InChI Key InChIKey=LZGGMIYLNQXAPB-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 = 45341   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45341BDBM45341(cid_667293 | MLS000083342 | 1-(4-fluorophenyl)-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:
5/27/2011
Entry Details
PCBioAssay