BDBM45317 3,3,3-trifluoro-2-(2-furoylamino)-2-[(4-methylthiazol-2-yl)amino]propionic acid methyl ester::3,3,3-trifluoro-2-[[2-furanyl(oxo)methyl]amino]-2-[(4-methyl-2-thiazolyl)amino]propanoic acid methyl ester::MLS000078132::SMR000041214::cid_660460::methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate::methyl 3,3,3-tris(fluoranyl)-2-(furan-2-ylcarbonylamino)-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate

SMILES COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F

InChI Key InChIKey=IGCFWHRVLUAMOM-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 = 45317   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45317BDBM45317(MLS000078132 | cid_660460 | methyl 3,3,3-tris(fluo...)
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