BDBM78589 3-(ethylthio)-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-(ethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::3-Ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile::3-ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile::MLS000552172::SMR000145886::cid_708947

SMILES CCSc1nc(N2CCCCC2)c2CCCCc2c1C#N

InChI Key InChIKey=XTLMBDNMLCKCLZ-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 = 78589   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78589(MLS000552172 | 3-(ethylthio)-1-(1-piperidinyl)-5,6...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay