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SMILES: Oc1cn2CCN(Cc2cc1=O)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=QYCRMNNHDUFITM-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50529567   
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)		BDBM50529567
PNG
(CHEMBL4571097)
Show SMILES Oc1cn2CCN(Cc2cc1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-13-8-11-9-16(7-6-15(11)10-14(13)18)21(19,20)12-4-2-1-3-5-12/h1-5,8,10,18H,6-7,9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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