BDBM50870 (8R,8aR)-6-Amino-8-furan-3-yl-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile::(8R,8aR)-6-amino-8-(3-furanyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile;ethanol::(8R,8aR)-6-amino-8-(3-furyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile;ethanol::(8R,8aR)-6-amino-8-(furan-3-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile;ethanol::(8R,8aR)-6-azanyl-8-(furan-3-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile;ethanol::MLS000552641::SMR000146156::cid_9550040

SMILES CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1

InChI Key InChIKey=QRJRTWMIUMIRJW-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  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 3 hits for monomerid = 50870   

TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50870((8R,8aR)-6-amino-8-(3-furanyl)-2-methyl-1,3,8,8a-t...)
Affinity DataIC50: 4.49E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50870((8R,8aR)-6-amino-8-(3-furanyl)-2-methyl-1,3,8,8a-t...)
Affinity DataEC50: >7.50E+4nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetTropomyosin alpha-1 chain(Pig)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50870((8R,8aR)-6-amino-8-(3-furanyl)-2-methyl-1,3,8,8a-t...)
Affinity DataEC50:  8.32E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay