BDBM34825 (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanoic acid ethyl ester;hydroiodide::(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propionic acid ethyl ester;hydroiodide::MLS000699788::SMR000226070::cid_15945775::ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propanoate;hydroiodide::ethyl 2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)propanoate

SMILES CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc12

InChI Key InChIKey=XCVWSOMTPIRYPM-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 34825   

TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34825BDBM34825(ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-...)
Affinity DataIC50: 3.79E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34825BDBM34825(ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-...)
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
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34825BDBM34825(ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay