BDBM53930 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone::9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione::9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione::9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione::MLS000626868::SMR000299252::cid_1291779

SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

InChI Key InChIKey=AWVHKFATHIPDQQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 53930   

TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 53930BDBM53930(9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,4,5,6,7,9-h...)
Affinity DataIC50: 4.63E+4nMAssay 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:
6/4/2011
Entry Details
PCBioAssay