BDBM45492 2-[(2,5-Dimethoxy-phenylcarbamoyl)-methyl]-3-oxo-piperazine-1-carboxylic acid (3-chloro-phenyl)-amide::MLS000559445::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-3-keto-piperazine-1-carboxamide::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxo-1-piperazinecarboxamide::N-(3-chlorophenyl)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide::N-(3-chlorophenyl)-2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carboxamide::SMR000149561::cid_4898031

SMILES COc1ccc(OC)c(NC(=O)CC2N(CCNC2=O)C(=O)Nc2cccc(Cl)c2)c1

InChI Key InChIKey=IJTPCSBOHGJHDM-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 = 45492   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45492BDBM45492(SMR000149561 | cid_4898031 | N-(3-chlorophenyl)-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