BDBM32722 (4-chlorophenyl)-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-1-yl]methanone::(4-chlorophenyl)-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methanone::MLS000522280::SMR000127548::cid_3586641

SMILES CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1

InChI Key InChIKey=JBCIQOTXWVGRSP-UHFFFAOYSA-N

Data  5 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 = 32722   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32722(cid_3586641 | (4-chlorophenyl)-[3-(furan-2-yl)-5-m...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay