new BindingDB logo
myBDB logout

BDBM50151994 3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indol-5-ol::CHEMBL363055

SMILES: Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1

InChI Key: InChIKey=ZGRIICNJMQCNJE-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50151994   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair