BDBM50548149 CHEMBL4764231

SMILES CCn1cc(c(C)n1)-c1cc[nH]n1

InChI Key InChIKey=KKQDQBOHKDZMTM-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 50548149   

TargetLanosterol synthase(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50548149(CHEMBL4764231)
Affinity DataIC50: 6.90E+4nMAssay 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
TargetLanosterol synthase(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50548149(CHEMBL4764231)
Affinity DataKd:  9.00E+3nMAssay Description:Binding affinity to human wild-type SUMO-tagged catechol O-methyltransferase assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed