BDBM45512 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[5-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000327844::SMR000180810::cid_3730313::ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate::ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl 2-[[5-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

SMILES CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)[nH]1

InChI Key InChIKey=XSOYOULBWYMABG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45512   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45512BDBM45512(2-[[5-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4...)
Affinity DataIC50: 4.36E+3nMAssay 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