BDBM55995 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[(tetrahydro-furan-2-ylmethyl)-amino]-ethanone::1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-oxolanylmethylamino)ethanone;oxalic acid::1-(3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;ethanedioic acid::1-(3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;oxalic acid::1-(3,4-dihydro-2H-quinolin-1-yl)-2-(tetrahydrofurfurylamino)ethanone;oxalic acid::MLS000030021::SMR000008419::cid_654269

SMILES O=C(CNCC1CCCO1)N1CCCc2ccccc12

InChI Key InChIKey=SELHIZKGVAESJY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55995   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55995(1-(3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-ylmet...)
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