BindingDB logo
myBDB logout

BDBM50152006 3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile::CHEMBL433968

SMILES: COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N

InChI Key: InChIKey=QMRDAGPTZAPMJI-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 = 50152006   
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))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60n/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))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90n/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