new BindingDB logo
myBDB logout

BDBM50132047 3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid::CHEMBL1180455::CHEMBL126725

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=QQXFYZWQVQXWMO-JLHYYAGUSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50132047   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22.6n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
22.6n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Effective concentration of the compound for Dopamine receptor D3 was determined


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair