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BDBM50151943 Acetic acid 3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indol-5-yl ester::CHEMBL186115

SMILES: COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1

InChI Key: InChIKey=SPDSMYRGVAEZCP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50151943   
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))
BDBM50151943
PNG
(Acetic acid 3-{4-[4-(4-methoxy-phenyl)-piperazin-1...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1
Show InChI InChI=1S/C25H31N3O3/c1-19(29)31-23-10-11-25-24(17-23)20(18-26-25)5-3-4-12-27-13-15-28(16-14-27)21-6-8-22(30-2)9-7-21/h6-11,17-18,26H,3-5,12-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/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: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151943
PNG
(Acetic acid 3-{4-[4-(4-methoxy-phenyl)-piperazin-1...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1
Show InChI InChI=1S/C25H31N3O3/c1-19(29)31-23-10-11-25-24(17-23)20(18-26-25)5-3-4-12-27-13-15-28(16-14-27)21-6-8-22(30-2)9-7-21/h6-11,17-18,26H,3-5,12-16H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck KGaA

Curated by ChEMBL


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


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair