BDBM55861 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid octyl ester::5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid octyl ester;hydrobromide::5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-methyl-3-indolecarboxylic acid octyl ester;hydrobromide::MLS001029434::SMR000425551::cid_16681981::octyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate;hydrobromide::octyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide

SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12

InChI Key InChIKey=VZWKDYHNAFXALD-UHFFFAOYSA-N

Data  7 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 8 hits for monomerid = 55861   

TargetNeutrophil cytosol factor 1 [S99G](Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  2.78E+3nMAssay 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 DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
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 DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  1.24E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingomyelin phosphodiesterase(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  3.16E+4nMAssay Description:Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  4.22E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCysteine protease ATG4B(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  8.63E+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 DepthDetails PCBioAssay
TargetPhospholipase A2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  5.22E+4nMAssay 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 DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay