BDBM50286361 CHEMBL540641::Tributyl-{4-[2-(N',N''-dicyclohexyl-guanidino)-3-thiophen-2-yl-propionylamino]-benzyl}-phosphonium; Chloride

SMILES [#6]-[#6]-[#6]-[#6][P+]([#6]-[#6]-[#6]-[#6])([#6]-[#6]-[#6]-[#6])[#6]-c1ccc(-[#7]-[#6](=O)-[#6@H](-[#6]-c2cccs2)\[#7]=[#6](/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1

InChI Key InChIKey=WRCIYVWFBBFNQP-UHFFFAOYSA-N

Data  1 KI

  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 = 50286361   

TargetB2 bradykinin receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50286361(Tributyl-{4-[2-(N',N''-dicyclohexyl-guanidino)-3-t...)
Affinity DataKi:  2.57E+3nMAssay Description:Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article