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BDBM50079947 (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(3-methoxy-phenyl)-piperidin-4-ylmethyl]-amine::CHEMBL114331

SMILES: COc1cccc(c1)N1CCC(CNCC2COc3ccccc3O2)CC1

InChI Key: InChIKey=DUTPDVWPQWRHMS-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50079947   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079947
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(3-me...)
Show SMILES COc1cccc(c1)N1CCC(CNCC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-5-18(13-19)24-11-9-17(10-12-24)14-23-15-20-16-26-21-7-2-3-8-22(21)27-20/h2-8,13,17,20,23H,9-12,14-16H2,1H3
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
7n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079947
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(3-me...)
Show SMILES COc1cccc(c1)N1CCC(CNCC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H28N2O3/c1-25-19-6-4-5-18(13-19)24-11-9-17(10-12-24)14-23-15-20-16-26-21-7-2-3-8-22(21)27-20/h2-8,13,17,20,23H,9-12,14-16H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
54n/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