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BDBM50079946 (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperidin-4-ylmethyl]-amine::CHEMBL115599

SMILES: C(NCC1COc2ccccc2O1)C1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=OGFDOBGWVXITBG-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 = 50079946   
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))
BDBM50079946
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28N2O4/c1-2-6-21-20(5-1)28-16-18(29-21)15-24-14-17-8-10-25(11-9-17)19-4-3-7-22-23(19)27-13-12-26-22/h1-7,17-18,24H,8-16H2
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PC sid
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Article
PubMed
18n/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))
BDBM50079946
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28N2O4/c1-2-6-21-20(5-1)28-16-18(29-21)15-24-14-17-8-10-25(11-9-17)19-4-3-7-22-23(19)27-13-12-26-22/h1-7,17-18,24H,8-16H2
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KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
23n/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