BDBM45614 4-(3-fluorobenzyl)-1-[2-(tetrazol-1-yl)acetyl]isonipecotic acid ethyl ester::4-[(3-fluorophenyl)methyl]-1-[1-oxo-2-(1-tetrazolyl)ethyl]-4-piperidinecarboxylic acid ethyl ester::MLS000734415::SMR000318838::cid_16190336::ethyl 4-(3-fluorobenzyl)-1-(1H-tetrazol-1-ylacetyl)piperidine-4-carboxylate::ethyl 4-[(3-fluorophenyl)methyl]-1-[2-(1,2,3,4-tetrazol-1-yl)ethanoyl]piperidine-4-carboxylate::ethyl 4-[(3-fluorophenyl)methyl]-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylate

SMILES CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC1)C(=O)Cn1cnnn1

InChI Key InChIKey=AUMOVYOKIBFUIL-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 = 45614   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45614BDBM45614(MLS000734415 | cid_16190336 | 4-[(3-fluorophenyl)m...)
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