BDBM45378 3-(3-bromanyl-4-methoxy-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid::3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid::MLS000086186::SMR000021695::cid_3244052

SMILES COc1ccc(cc1Br)C1C(C(O)=O)c2ccccc2C(=O)N1C

InChI Key InChIKey=BMPCFTVFJUUIBJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45378   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45378BDBM45378(3-(3-bromo-4-methoxyphenyl)-2-methyl-1-oxo-3,4-dih...)
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