BDBM45340 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine::8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione::8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione::MLS000080720::SMR000017132::cid_666849

SMILES Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O

InChI Key InChIKey=QHWAJLZAGSQOEF-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 45340   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45340BDBM45340(SMR000017132 | MLS000080720 | 8-(3,4-dihydro-1H-is...)
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