BDBM79883 4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}thio)-2,5-dioxopyrrolidin-1-yl]benzoic acid::4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid::4-[3-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid::4-[3-[[1,3-benzodioxol-5-ylmethylimino-(4-fluoroanilino)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid::4-[3-[[N-(4-fluorophenyl)-N'-piperonyl-amidino]thio]-2,5-diketo-pyrrolidino]benzoic acid::MLS000682083::SMR000313486::cid_3897375

SMILES OC(=O)c1ccc(cc1)-n1c(O)cc(SC(NCc2ccc3OCOc3c2)=Nc2ccc(F)cc2)c1O

InChI Key InChIKey=DWWTVFIKEIGFEP-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 79883   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79883(4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-...)
Affinity DataIC50:  2.45E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHuntingtin(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79883(4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-...)
Affinity DataIC50:  2.89E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79883(4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-...)
Affinity DataIC50:  1.43E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay