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BDBM50079953 3-({[1-(2-Methoxy-phenyl)-piperidin-4-ylmethyl]-amino}-methyl)-2,3-dihydro-benzo[1,4]dioxin-5-ol::CHEMBL115931

SMILES: COc1ccccc1N1CCC(CNCC2COc3cccc(O)c3O2)CC1

InChI Key: InChIKey=CHBUDRVHEPFQKH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079953   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079953
PNG
(3-({[1-(2-Methoxy-phenyl)-piperidin-4-ylmethyl]-am...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3cccc(O)c3O2)CC1
Show InChI InChI=1S/C22H28N2O4/c1-26-20-7-3-2-5-18(20)24-11-9-16(10-12-24)13-23-14-17-15-27-21-8-4-6-19(25)22(21)28-17/h2-8,16-17,23,25H,9-15H2,1H3
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Article
PubMed
25n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair