BDBM45599 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide::2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide::2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide::2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide::MLS000686929::SMR000284481::cid_1152592

SMILES FC(F)(F)c1cc(nc(SCC(=O)NCCN2CCOCC2)n1)-c1ccco1

InChI Key InChIKey=LMVPBWNAAHMCDP-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 = 45599   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45599BDBM45599(2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-y...)
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