BDBM40811 (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester::(8R,8aR)-6-amino-5,7,7-tricyano-8-o-phenetyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester::MLS000038519::SMR000036442::cid_660115::ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate::ethyl (8R,8aR)-6-azanyl-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

SMILES CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccccc1OCC

InChI Key InChIKey=VNAOVKNKEHNSPQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40811   

LigandPNGBDBM40811(ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyp...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay