BDBM33427 (4,4-Dimethyl-1-thioxo-1,4-dihydro-[1,2]dithiolo[3,4-c]quinolin-5-yl)-furan-2-yl-methanone::(4,4-dimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)-(2-furanyl)methanone::(4,4-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone::(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(furan-2-yl)methanone::(4,4-dimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)-(2-furyl)methanone::MLS000029562::SMR000001105::cid_565200

SMILES CC1(C)N(C(=O)c2ccco2)c2ccccc2-c2c1ssc2=S

InChI Key InChIKey=WDRUXMWBQABAFO-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 = 33427   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33427(SMR000001105 | (4,4-dimethyl-1-sulfanylidene-[1,2]...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
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Date in BDB:
11/9/2009
Entry Details
PCBioAssay