BDBM60610 2,6-dimethoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one::2,6-dimethoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone::2,6-dimethoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one::4-{[(E)-3-Mercapto-5-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl)-[1,2,4]triazol-4-ylimino]-methyl}-2,6-dimethoxy-phenol::MLS000331389::SMR000220890::cid_6412918

SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc(OC)c1O

InChI Key InChIKey=WKOMRUVWKXBOPZ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 60610   

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM60610(2,6-dimethoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetr...)
Affinity DataIC50: 1.81E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM60610(2,6-dimethoxy-4-[[[5-sulfanylidene-3-(1,4,5,6-tetr...)
Affinity DataIC50: 1.00E+5nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay