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BDBM50095810 2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione::CHEMBL1204230::CHEMBL60973

SMILES: CCCCOc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1

InChI Key: InChIKey=GRVCDCWEQGFGJT-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095810   
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))
BDBM50095810
PNG
(2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C23H34N4O3/c1-2-3-18-30-21-10-5-4-8-19(21)25-16-14-24(15-17-25)11-7-13-27-22(28)20-9-6-12-26(20)23(27)29/h4-5,8,10,28H,2-3,6-7,9,11-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
11n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50095810
PNG
(2-{3-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C23H34N4O3/c1-2-3-18-30-21-10-5-4-8-19(21)25-16-14-24(15-17-25)11-7-13-27-22(28)20-9-6-12-26(20)23(27)29/h4-5,8,10,28H,2-3,6-7,9,11-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
15n/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