BDBM55475 2-[(2,5-dimethylbenzyl)sulfanyl]-6,7-dimethoxy-3-(4-methoxybenzyl)-4(3H)-quinazolinimine::2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-4-imine::2-[(2,5-dimethylphenyl)methylthio]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-quinazolinimine::MLS000546943::SMR000180141::[2-[(2,5-dimethylbenzyl)thio]-6,7-dimethoxy-3-p-anisyl-quinazolin-4-ylidene]amine::cid_1482680

SMILES COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1

InChI Key InChIKey=MJUUNVIXFDMFRG-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  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 6 hits for monomerid = 55475   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataEC50:  6.67E+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
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataIC50: 8.10E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataIC50: 8.10E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataIC50: 1.17E+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
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 55475BDBM55475(MLS000546943 | 2-[(2,5-dimethylphenyl)methylthio]-...)
Affinity DataEC50:  8.34E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay