BDBM45380 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol::2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-propan-2-yl-phenol::2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-propan-2-ylphenol::4-Isopropyl-2-[4-(toluene-4-sulfonyl)-piperazin-1-ylmethyl]-phenol::4-isopropyl-2-[(4-tosylpiperazino)methyl]phenol::MLS000084752::SMR000019098::cid_1040497

SMILES CC(C)c1ccc(O)c(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c1

InChI Key InChIKey=IYJLDWAHRRCHFK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45380   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45380BDBM45380(cid_1040497 | 4-Isopropyl-2-[4-(toluene-4-sulfonyl...)
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