BindingDB logo
myBDB logout

BDBM50017849 CHEMBL169679::N-Adamantan-1-yl-2-chloro-4,5-dihydroxy-benzamide

SMILES: Oc1cc(Cl)c(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=XMKRFHKZKCPMEJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017849   
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))		BDBM50017849
PNG
(CHEMBL169679 | N-Adamantan-1-yl-2-chloro-4,5-dihyd...)
Show SMILES Oc1cc(Cl)c(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:18:21:14.13.15,19:14:21:18.20.17,THB:17:18:13:16.21.15,17:16:13:18.20.19|
Show InChI InChI=1S/C17H20ClNO3/c18-13-5-15(21)14(20)4-12(13)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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



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