BDBM64817 4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[1-[(3-chloro-4-methyl-phenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid::MLS-0368938.0001::cid_4189665

SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C)c(Cl)c1

InChI Key InChIKey=DWPKPKQLWJMISB-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 = 64817   

TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64817(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Affinity DataIC50:  1.49E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64817(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Affinity DataIC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProbable nicotinate-nucleotide adenylyltransferase(Staphylococcus aureus subsp. aureus N315)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64817(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Affinity DataIC50:  3.86E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64817(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Affinity DataIC50:  1.32E+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 DepthDetails PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM64817(4-[[2-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-y...)
Affinity DataIC50:  8.01E+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 DepthDetails PCBioAssay