BDBM59953 4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl)-acetylamino]-benzoic acid::4,5-dimethoxy-2-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]benzoic acid::4,5-dimethoxy-2-[[2-(3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid::MLS000553746::SMR000170936::cid_1153239

SMILES COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O

InChI Key InChIKey=DDPQVHBCDXRRBG-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 59953   

TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM59953(cid_1153239 | SMR000170936 | 4,5-dimethoxy-2-[2-(3...)
Affinity DataIC50: 1.57E+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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59953(cid_1153239 | SMR000170936 | 4,5-dimethoxy-2-[2-(3...)
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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay