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BDBM50079941 (8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine::CHEMBL112345

SMILES: COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12

InChI Key: InChIKey=ZVPBDPXZHYXGRS-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 = 50079941   
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))
BDBM50079941
PNG
((8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl...)
Show SMILES COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12
Show InChI InChI=1S/C20H26N4O3/c1-25-17-4-2-5-18-19(17)27-16(14-26-18)13-21-12-15-6-10-24(11-7-15)20-22-8-3-9-23-20/h2-5,8-9,15-16,21H,6-7,10-14H2,1H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/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))
BDBM50079941
PNG
((8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl...)
Show SMILES COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12
Show InChI InChI=1S/C20H26N4O3/c1-25-17-4-2-5-18-19(17)27-16(14-26-18)13-21-12-15-6-10-24(11-7-15)20-22-8-3-9-23-20/h2-5,8-9,15-16,21H,6-7,10-14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
76n/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