BindingDB logo
myBDB logout

BDBM50088843 CHEMBL171115::N-{4-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-acetamide

SMILES: COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1

InChI Key: InChIKey=DQXHFJPTTIOPNF-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 = 50088843   
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
D(2) dopamine receptor


(BOVINE)
BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+3n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor


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))
BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

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



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


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


BindingDB Entry DOI: 10.7270/Q2CZ36C7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50088843
PNG
(CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+3n/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