BDBM30743 6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester::6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester::MLS000038520::SMR000036448::cid_660532::ethyl 6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate::ethyl 6-azanyl-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

SMILES CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC

InChI Key InChIKey=RUCBDRKYNSRUEO-UHFFFAOYSA-N

Data  2 IC50  3 EC50

  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 5 hits for monomerid = 30743   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30743(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Affinity DataEC50:  9.90E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM30743(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Affinity DataIC50:  4.45E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30743(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Affinity DataEC50:  2.98E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30743(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Affinity DataEC50:  4.31E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM30743(6-amino-8-(4-butoxy-3-methoxy-phenyl)-5,7,7-tricya...)
Affinity DataIC50: >5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay