BDBM56410 3-(2-furanylmethyl)-1-[2-(1-piperidinyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione::3-(2-furfuryl)-1-(2-piperidinoethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-quinone::3-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione::3-Furan-2-ylmethyl-1-(2-piperidin-1-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene- 2,4-dione::MLS000559438::SMR000149554::cid_1832171

SMILES O=c1n(CCN2CCCCC2)c2sc3CCCCCc3c2c(=O)n1Cc1ccco1

InChI Key InChIKey=HQFMIOZYIHXOAI-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 = 56410   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56410(MLS000559438 | SMR000149554 | 3-Furan-2-ylmethyl-1...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay