BDBM56149 2-(butylthio)-1-pyrindan-3-carbonitrile::2-(butylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::2-butylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::MLS000053110::SMR000069377::cid_2056274

SMILES CCCCSc1nc2CCCc2cc1C#N

InChI Key InChIKey=ROHAJBSDCNYPGO-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56149   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56149(SMR000069377 | cid_2056274 | 2-butylsulfanyl-6,7-d...)
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