BDBM114543 (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate;hydrochloride::(4-butoxy-3-chlorophenyl)methyl carbamimidothioate;hydrochloride::2-(4-Butoxy-3-chloro-benzyl)-isothiourea::2-(4-butoxy-3-chloro-benzyl)isothiourea;hydrochloride::CHEMBL568966::MLS001029844::SMR000427725::carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester;hydrochloride::cid_16681813

SMILES CCCCOc1ccc(CSC(N)=N)cc1Cl

InChI Key InChIKey=IONZMLSFEITLRK-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 114543   

TargetGroup 3 secretory phospholipase A2(Homo sapiens)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM114543((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)
Affinity DataIC50:  1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM114543((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)
Affinity DataKd:  1.50E+4nMAssay Description:Inhibition of BACE1 by fragment-based NMR screening methodMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM114543((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)
Affinity DataIC50:  2.10E+5nMAssay Description:Inhibition of BACE1 by HTRF assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM114543((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)
Affinity DataKd:  1.50E+4nMAssay Description:Binding affinity to BACE1 by fragment-based NMR screening assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM114543((4-butoxy-3-chloranyl-phenyl)methyl carbamimidothi...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of BACE1 mediated human Swedish amyloid precursor protein peptide hydrolysis by HTRF assayMore data for this Ligand-Target Pair