BDBM33448 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527906::SMR000120480::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-phenyl-methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenyl-methanone::cid_828588

SMILES Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1

InChI Key InChIKey=IGCDDPNPYAFVCA-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 33448   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33448(MLS000527906 | [5-amino-3-(furan-2-yl)-1,2,4-triaz...)
Affinity DataIC50: 643nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33448(MLS000527906 | [5-amino-3-(furan-2-yl)-1,2,4-triaz...)
Affinity DataIC50: 926nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33448(MLS000527906 | [5-amino-3-(furan-2-yl)-1,2,4-triaz...)
Affinity DataIC50: 643nMAssay 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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33448(MLS000527906 | [5-amino-3-(furan-2-yl)-1,2,4-triaz...)
Affinity DataIC50: 2.47E+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:
6/8/2011
Entry Details
PCBioAssay