BDBM50548135 CHEMBL4780342

SMILES Cc1nc(C)c(-c2cc(Cc3ccc(-c4ccccc4)cc3)[nH]n2)s1

InChI Key InChIKey=BRJXQFKKCOUCJK-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 = 50548135   

TargetLanosterol synthase(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50548135BDBM50548135(CHEMBL4780342)
Affinity DataIC50: 3.20E+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