BDBM39458 3-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one::3-[[[5-[(4-chlorophenoxy)methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one::3-[[[5-[(4-chlorophenoxy)methyl]-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one::MLS000053544::SMR000064248::cid_2108763

SMILES Clc1ccc(OCc2nnc(SCn3nnc4ccccc4c3=O)n2Cc2ccco2)cc1

InChI Key InChIKey=XGNKVLGEHOQVPX-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39458   

TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39458(MLS000053544 | cid_2108763 | SMR000064248 | 3-[[5-...)
Affinity DataEC50: >3.67E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39458(MLS000053544 | cid_2108763 | SMR000064248 | 3-[[5-...)
Affinity DataEC50:  3.69E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM39458(MLS000053544 | cid_2108763 | SMR000064248 | 3-[[5-...)
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:
6/8/2011
Entry Details
PCBioAssay