BDBM40645 3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester::3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester::MLS000088247::SMR000072491::cid_889959::methyl 3-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetyl}amino)benzoate::methyl 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate::methyl 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate

SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1

InChI Key InChIKey=WTFOIHXXPNPGEB-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 = 40645   

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

Curated by PubChem BioAssay
LigandPNGBDBM40645(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Affinity DataIC50:  5.69E+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 DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40645(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Affinity DataIC50: >5.96E+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 DepthDetails PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum 3D7)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM40645(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Affinity DataIC50:  7.51E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay