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BDBM50102330 2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol::2-[4-(3-Benzo[b]thiophen-3-yl-3-hydroxy-propyl)-piperazin-1-yl]-phenol::CHEMBL135890

SMILES: OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12

InChI Key: InChIKey=ABYMPOVMMYXTTE-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50102330   
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))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


Article DOI: 10.1021/jm001059j
BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.2n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.2n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


Article DOI: 10.1021/jm001059j
BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair