BindingDB logo
myBDB logout

BDBM50088846 CHEMBL353678::N-{4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-benzyl}-acetamide

SMILES: CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1

InChI Key: InChIKey=BYOCSCZGFDKXFO-UHFFFAOYSA-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 = 50088846   
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))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.90n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
69n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
130n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50088846
PNG
(CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...)
Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
170n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


Bioorg Med Chem Lett 10: 875-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair