BDBM40331 1-(4-fluorophenyl)-4-[1-(1-piperonyltetrazol-5-yl)propyl]piperazine::1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-(4-fluoro-phenyl)-piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]propyl]-4-(4-fluorophenyl)piperazine::1-[1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine::MLS000070781::SMR000005027::cid_648059

SMILES CCC(N1CCN(CC1)c1ccc(F)cc1)c1nnnn1Cc1ccc2OCOc2c1

InChI Key InChIKey=BLEAGDQCDRKTLY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40331   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40331(1-(4-fluorophenyl)-4-[1-(1-piperonyltetrazol-5-yl)...)
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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay