BDBM37322 4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile::4-(benzotriazol-1-yl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile::4-(benzotriazol-1-yl)-5-(2-methoxyphenoxy)phthalonitrile::MLS000080557::SMR000036469::cid_666341

SMILES COc1ccccc1Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N

InChI Key InChIKey=ZDUPMKPVDRTDCV-UHFFFAOYSA-N

Data  1 IC50  3 EC50

  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 4 hits for monomerid = 37322   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37322(4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1...)
Affinity DataEC50:  1.72E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetCathepsin S(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM37322(4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1...)
Affinity DataIC50: 5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37322(4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1...)
Affinity DataEC50:  2.88E+5nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM37322(4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1...)
Affinity DataEC50:  3.77E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay