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SMILES: Oc1cc(C=O)cc(C#N)c1O

InChI Key: InChIKey=KANXHIGRABCNET-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017862   
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
Catechol O-methyltransferase


(Rattus norvegicus (Rat))		BDBM50017862
PNG
(5-Formyl-2,3-dihydroxy-benzonitrile | CHEMBL169465)
Show SMILES Oc1cc(C=O)cc(C#N)c1O
Show InChI InChI=1S/C8H5NO3/c9-3-6-1-5(4-10)2-7(11)8(6)12/h1-2,4,11-12H
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MMDB

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Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.

J Med Chem 32: 841-6 (1989)


BindingDB Entry DOI: 10.7270/Q2GF0SHP
More data for this
Ligand-Target Pair