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BDBM50029280 CHEMBL544371::[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thiophen-2-yl]-piperidin-1-yl-methanone; hydrochloride

SMILES: O=C(N1CCCCC1)c1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1

InChI Key: InChIKey=DWMODKKMMSDCPG-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029280   
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))
BDBM50029280
PNG
(CHEMBL544371 | [5-(4-Benzofuran-7-yl-piperazin-1-y...)
Show SMILES O=C(N1CCCCC1)c1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
Show InChI InChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.630n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029280
PNG
(CHEMBL544371 | [5-(4-Benzofuran-7-yl-piperazin-1-y...)
Show SMILES O=C(N1CCCCC1)c1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
Show InChI InChI=1S/C23H27N3O2S/c27-23(26-10-2-1-3-11-26)21-8-7-19(29-21)17-24-12-14-25(15-13-24)20-6-4-5-18-9-16-28-22(18)20/h4-9,16H,1-3,10-15,17H2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


Article DOI: 10.1021/jm00021a009
BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair