BDBM33450 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-chloro-phenyl)-methanone::MLS000527908::SMR000120482::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_828591

SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1

InChI Key InChIKey=PMYRDJAEGIUHCC-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 33450   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33450(cid_828591 | MLS000527908 | (5-Amino-3-furan-2-yl-...)
Affinity DataIC50: 8.59E+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