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SMILES: CCC(CC)CN1CCn2cc(O)c(=O)cc2C1

InChI Key: InChIKey=DEXWPQYWPXPZTH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50529582   
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)		BDBM50529582
PNG
(CHEMBL4551380)
Show SMILES CCC(CC)CN1CCn2cc(O)c(=O)cc2C1
Show InChI InChI=1S/C14H22N2O2/c1-3-11(4-2)8-15-5-6-16-10-14(18)13(17)7-12(16)9-15/h7,10-11,18H,3-6,8-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/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