BDBM50618 3-(4-Carboxy-benzyl)-4-(3,5-di-tert-butyl-4-hydroxy-phenyl)-2-phenylamino-thiazol-3-ium::4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]methyl]benzoic acid;bromide::4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]methyl]benzoic acid;hydrobromide::4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid;bromide::4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiazol-3-iumyl]methyl]benzoic acid;bromide::4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid;bromide::MLS000777664::SMR000414058::cid_16682164

SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O

InChI Key InChIKey=RDMIJMMRSIJPDA-UHFFFAOYSA-O

Data  8 IC50  1 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 9 hits for monomerid = 50618   

LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataIC50: 2.01E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetPlectin(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataIC50: 6.69E+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:
6/5/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataEC50:  1.50E+5nMAssay 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
TargetPlectin(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataIC50: 2.00E+5nMAssay 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:
7/9/2011
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataIC50: 2.73E+4nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
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:
7/12/2011
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
Affinity DataIC50: 3.50E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
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
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50618(4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pheny...)
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