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BDBM50095804 2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-hexahydro-pyrido[1,2-a]pyrazine-1,4-dione::CHEMBL1204243::CHEMBL293488

SMILES: CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1

InChI Key: InChIKey=DVRNXWWEJYCBOC-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095804   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50095804
PNG
(2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
Show InChI InChI=1S/C25H38N4O3/c1-2-3-19-32-23-11-5-4-9-21(23)27-17-15-26(16-18-27)12-8-13-28-20-24(30)29-14-7-6-10-22(29)25(28)31/h4-5,9,11,22H,2-3,6-8,10,12-20H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
92n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 44: 198-207 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2HWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50095804
PNG
(2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
Show InChI InChI=1S/C25H38N4O3/c1-2-3-19-32-23-11-5-4-9-21(23)27-17-15-26(16-18-27)12-8-13-28-20-24(30)29-14-7-6-10-22(29)25(28)31/h4-5,9,11,22H,2-3,6-8,10,12-20H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT


J Med Chem 44: 186-97 (2001)


BindingDB Entry DOI: 10.7270/Q2RN38MH
More data for this
Ligand-Target Pair