BDBM51805 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine::3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine::3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine::3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylthio]-4-quinazolinimine::MLS000546901::SMR000180099::[3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)thio]quinazolin-4-ylidene]amine::cid_1489267

SMILES COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl

InChI Key InChIKey=NQYGTTYTHFNECU-UHFFFAOYSA-N

Data  1 IC50  5 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 6 hits for monomerid = 51805   

LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataEC50:  2.23E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataEC50:  1.97E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataEC50:  5.93E+3nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataEC50:  4.05E+4nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNeurotensin receptor type 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51805(3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimet...)
Affinity DataEC50:  5.35E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay