BDBM45645 2-[[(2-fluorophenyl)methyl-(phenylmethyl)carbamothioyl]amino]-N-(2-phenylethyl)ethanamide::2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-(2-phenylethyl)acetamide::2-[[benzyl-(2-fluorobenzyl)thiocarbamoyl]amino]-N-phenethyl-acetamide::2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]-N-(2-phenylethyl)acetamide::MLS000674016::N~2~-{[benzyl(2-fluorobenzyl)amino]carbonothioyl}-N~1~-(2-phenylethyl)glycinamide::SMR000311294::cid_4985031

SMILES Fc1ccccc1CN(Cc1ccccc1)C(=S)NCC(=O)NCCc1ccccc1

InChI Key InChIKey=ITQXCPNPSZOQHN-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 = 45645   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45645BDBM45645(2-[[(2-fluorophenyl)methyl-(phenylmethyl)carbamoth...)
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