BDBM70228 3-[5-[(Z)-(5-azanylidene-7-oxidanylidene-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid::3-[5-[(Z)-(5-imino-3-isopropylsulfonyl-7-keto-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-furyl]benzoic acid::3-[5-[(Z)-(5-imino-7-oxo-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-furanyl]benzoic acid::3-[5-[(Z)-(5-imino-7-oxo-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid::MLS-0264081.0001::cid_16195402

SMILES CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C(=N)N12

InChI Key InChIKey=GGEGUVDQDOFFES-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 = 70228   

TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70228(3-[5-[(Z)-(5-imino-7-oxo-3-propan-2-ylsulfonyl-[1,...)
Affinity DataIC50: 4.49E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70228(3-[5-[(Z)-(5-imino-7-oxo-3-propan-2-ylsulfonyl-[1,...)
Affinity DataIC50: 6.80E+4nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetHuntingtin(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM70228(3-[5-[(Z)-(5-imino-7-oxo-3-propan-2-ylsulfonyl-[1,...)
Affinity DataIC50: 1.06E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay