BDBM48469 (6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[[5-(2-furanylmethylthio)-2-furanyl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[[5-(2-furfurylthio)-2-furyl]methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::(6E)-6-[[5-(furan-2-ylmethylsulfanyl)furan-2-yl]methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one::MLS000521349::SMR000131757::cid_9550113

SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N

InChI Key InChIKey=JKRNYSMGLKKINP-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 48469   

LigandPNGBDBM48469((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Affinity DataIC50: 3.18E+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
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48469((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48469((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Affinity DataIC50: 2.65E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetProthrombin(Bovine)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48469((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Affinity DataIC50: 2.28E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
Target26S proteasome non-ATPase regulatory subunit 14(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48469((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Affinity DataIC50: 1.37E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay