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BDBM50152011 3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile::CHEMBL184556

SMILES: N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

InChI Key: InChIKey=GMSXHDFLWANNPI-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50152011   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1n/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))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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PC sid
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Article
PubMed
n/an/a 0.400n/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))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>630n/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