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BDBM50054396 2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione::CHEMBL432495

SMILES: Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1

InChI Key: InChIKey=UWIURJNZJLHTCF-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50054396   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054396
PNG
(2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-t...)
Show SMILES Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O2/c19-14-3-5-15(6-4-14)21-11-8-20(9-12-21)10-13-23-17(24)16-2-1-7-22(16)18(23)25/h3-6,24H,1-2,7-13H2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 using [3H]-raclopride radioligand.


J Med Chem 39: 4439-50 (1996)


Article DOI: 10.1021/jm960416g
BindingDB Entry DOI: 10.7270/Q2WS8SBN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054396
PNG
(2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-t...)
Show SMILES Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O2/c19-14-3-5-15(6-4-14)21-11-8-20(9-12-21)10-13-23-17(24)16-2-1-7-22(16)18(23)25/h3-6,24H,1-2,7-13H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand.


J Med Chem 39: 4439-50 (1996)


Article DOI: 10.1021/jm960416g
BindingDB Entry DOI: 10.7270/Q2WS8SBN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054396
PNG
(2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-t...)
Show SMILES Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN4O2/c19-14-3-5-15(6-4-14)21-11-8-20(9-12-21)10-13-23-17(24)16-2-1-7-22(16)18(23)25/h3-6,24H,1-2,7-13H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.39E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat cerebral cor...


J Med Chem 40: 1648-56 (1997)


Article DOI: 10.1021/jm960744g
BindingDB Entry DOI: 10.7270/Q2K35V96
More data for this
Ligand-Target Pair