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SMILES: Oc1cn2CCN(CCc3ccccc3)Cc2cc1=O

InChI Key: InChIKey=ATKKMMXYHRHDOJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50529579   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lanosterol synthase


(Rattus norvegicus)		BDBM50529579
PNG
(CHEMBL4454788)
Show SMILES Oc1cn2CCN(CCc3ccccc3)Cc2cc1=O
Show InChI InChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Lieber Institute for Brain Development

Curated by ChEMBL


Assay Description
Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...

ACS Med Chem Lett 10: 1573-1578 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00345
More data for this
Ligand-Target Pair