BDBM33464 2,6-dimethylbenzo-1,4-quinone 4-[O-(3-nitrobenzoyl)oxime]::3-nitrobenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester::3-nitrobenzoic acid [(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester::MLS000534027::SMR000141463::[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate::[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzoate::cid_885433

SMILES [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]\[#8]-[#6](=O)-c1cccc(c1)-[#7+](-[#8-])=O

InChI Key InChIKey=PGQCNUCKDKQXHK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 33464   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33464(SMR000141463 | cid_885433 | [(3,5-dimethyl-4-oxocy...)
Affinity DataIC50: 1.94E+3nMpH: 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
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay