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BDBM50079938 (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylmethyl)-amine::CHEMBL112697

SMILES: C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccn1

InChI Key: InChIKey=LTWGNOKBPCXOOT-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 = 50079938   
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))
BDBM50079938
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(3,4,5,6...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C20H25N3O2/c1-2-6-19-18(5-1)24-15-17(25-19)14-21-13-16-8-11-23(12-9-16)20-7-3-4-10-22-20/h1-7,10,16-17,21H,8-9,11-15H2
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PC cid
PC sid
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Article
PubMed
24n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079938
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(3,4,5,6...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C20H25N3O2/c1-2-6-19-18(5-1)24-15-17(25-19)14-21-13-16-8-11-23(12-9-16)20-7-3-4-10-22-20/h1-7,10,16-17,21H,8-9,11-15H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
27n/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