BDBM36983 (E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-butenenitrile::(E)-3-azanyl-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile::MLS000056051::SMR000067128::cid_5742495

SMILES CC(=N)C(C#N)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1

InChI Key InChIKey=XOFZDBBKJMAGPC-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 36983   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36983((E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-...)
Affinity DataEC50:  9.63E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM36983((E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-...)
Affinity DataEC50:  0.00314nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36983((E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-...)
Affinity DataEC50:  8.95E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM36983((E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-...)
Affinity DataEC50: >9.51E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay