BDBM45539 2-[1-[(3-methylanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester::2-[3-keto-1-(m-tolylthiocarbamoyl)piperazin-2-yl]acetic acid methyl ester::MLS000580075::SMR000199319::cid_2949761::methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate::methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate::methyl 2-[1-[(3-methylphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate

SMILES COC(=O)CC1N(CCNC1=O)C(=S)Nc1cccc(C)c1

InChI Key InChIKey=NLVPATXVFMATLN-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45539   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45539BDBM45539(methyl (1-{[(3-methylphenyl)amino]carbonothioyl}-3...)
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