BDBM45617 2-[1-(2,2-diphenylethyl)-3-keto-piperazin-2-yl]-N-[(3-methylisoxazol-5-yl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamide::2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-[(3-methyl-5-isoxazolyl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide::2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[(3-methylisoxazol-5-yl)methyl]acetamide::MLS000773118::SMR000318785::cid_16190888

SMILES Cc1cc(CNC(=O)CC2N(CC(c3ccccc3)c3ccccc3)CCNC2=O)on1

InChI Key InChIKey=WNXLWPJFYKCXRM-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 = 45617   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45617BDBM45617(MLS000773118 | 2-[1-(2,2-diphenylethyl)-3-oxidanyl...)
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