BDBM45490 1-Butyl-3-hydroxy-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile::1-butyl-3-keto-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::1-butyl-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::1-butyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile::MLS000550868::SMR000144996::cid_3773502

SMILES CCCCc1[nH]c(=O)c(C#N)c2CCCCc12

InChI Key InChIKey=JXWHYNVISYCBCO-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45490   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45490(1-butyl-3-oxidanylidene-5,6,7,8-tetrahydro-2H-isoq...)
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:
5/27/2011
Entry Details
PCBioAssay