BDBM45561 3-[2-(4-fluoranylphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::3-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine::3-[2-(4-fluorophenoxy)ethylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine::MLS000388559::SMR000254732::[3-[2-(4-fluorophenoxy)ethylthio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine::cid_2457362

SMILES Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1

InChI Key InChIKey=RCBSDKHPNVVQHC-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 = 45561   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45561BDBM45561(cid_2457362 | SMR000254732 | MLS000388559 | 3-[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