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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50219111'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
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PC sid
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Article
PubMed
0.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in HEK293 cells by mitogenesis assay


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219111
PNG
(CHEMBL390253 | N-(4-(4-(2,3-dichlorophenyl)piperaz...)
Show SMILES OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C26H28Cl2N4O2/c27-22-4-3-6-24(25(22)28)32-16-14-31(15-17-32)13-11-21(33)18-30-26(34)20-9-7-19(8-10-20)23-5-1-2-12-29-23/h1-10,12,21,33H,11,13-18H2,(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in HEK293 cells by mitogenesis assay


J Med Chem 50: 4135-46 (2007)


Article DOI: 10.1021/jm0704200
BindingDB Entry DOI: 10.7270/Q2WW7HDW
More data for this
Ligand-Target Pair