BDBM40627 (E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-butenenitrile::(E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile::(E)-3-amino-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile::(E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile::MLS000056676::SMR000065414::cid_5742574

SMILES CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1

InChI Key InChIKey=LLWWEHLVGYXKPY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 40627   

TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40627(SMR000065414 | (E)-3-amino-2-[2-[[5-(propan-2-ylam...)
Affinity DataIC50: 2.37E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40627(SMR000065414 | (E)-3-amino-2-[2-[[5-(propan-2-ylam...)
Affinity DataIC50: 23nMAssay 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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40627(SMR000065414 | (E)-3-amino-2-[2-[[5-(propan-2-ylam...)
Affinity DataIC50: 1.63E+4nMAssay 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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40627(SMR000065414 | (E)-3-amino-2-[2-[[5-(propan-2-ylam...)
Affinity DataIC50: 1.09E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay