BDBM50180952 CHEMBL3818350

SMILES CCN1C(=O)S\C(=C\c2cc(O)c(O)c(c2)[N+]([O-])=O)C1=O

InChI Key InChIKey=RFQWFOYXIFPCHK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180952   

TargetLanosterol synthase(Rat)
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50180952(CHEMBL3818350)
Affinity DataIC50: 179nMAssay Description:Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed