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BDBM50017868 CHEMBL168451::N-Adamantan-1-yl-3-chloro-4,5-dihydroxy-benzamide

SMILES: Oc1cc(cc(Cl)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=YLRRYFLYJYRKJG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017868   
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))		BDBM50017868
PNG
(CHEMBL168451 | N-Adamantan-1-yl-3-chloro-4,5-dihyd...)
Show SMILES Oc1cc(cc(Cl)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:12:19:16.15.17,THB:13:12:14.15.19:17,13:14:12.20.21:17,21:16:12.13.20:19|
Show InChI InChI=1S/C17H20ClNO3/c18-13-4-12(5-14(20)15(13)21)16(22)19-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,19,22)
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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