BDBM40515 6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile::6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile::6-amino-4-(2-ethoxyphenyl)-3-phenyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile::6-amino-4-o-phenetyl-3-phenyl-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile::6-azanyl-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile::MLS000043378::SMR000020195::cid_5771468

SMILES CCOc1ccccc1C1C(C#N)C(N)=Nc2onc(c12)-c1ccccc1

InChI Key InChIKey=GDJKGAANWXYGGG-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 = 40515   

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40515(6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydroiso...)
Affinity DataEC50:  1.39E+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
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40515(6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydroiso...)
Affinity DataEC50:  1.62E+4nMAssay 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
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40515(6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydroiso...)
Affinity DataEC50:  1.75E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM40515(6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydroiso...)
Affinity DataIC50: 5.27E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay