BDBM50548133 CHEMBL4752881

SMILES Cc1nc(C)c(-c2cc([C@@H](C)c3ccccc3)[nH]n2)s1

InChI Key InChIKey=BUFWVGVUFJNORA-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 = 50548133   

TargetLanosterol synthase(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50548133BDBM50548133(CHEMBL4752881)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of recombinant wild-type human COMT expressed in Escherichia coli BL21 using 4-nitrocatechol-Alexa488 as substrate in presence of cofactor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed