BDBM59931 2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetylamino]-4,5-dimethoxy-benzoic acid::2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid::2-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid::MLS000547637::SMR000171056::cid_1440415

SMILES CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

InChI Key InChIKey=OOKPTWZUUYIFFQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 59931   

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

Curated by PubChem BioAssay
LigandPNGBDBM59931(2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethan...)
Affinity DataIC50: 1.00E+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
LigandPNGBDBM59931(2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethan...)
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
TargetHuntingtin(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59931(2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethan...)
Affinity DataIC50: 2.51E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay