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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 = 'BDBM50198284'   
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))
BDBM50198284
PNG
(1-((1H-indol-3-yl)methyl)-4-(3,4-dichlorophenyl)pi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O/c21-17-6-5-15(11-18(17)22)20(25)7-9-24(10-8-20)13-14-12-23-19-4-2-1-3-16(14)19/h1-6,11-12,23,25H,7-10,13H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
111n/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


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50198284
PNG
(1-((1H-indol-3-yl)methyl)-4-(3,4-dichlorophenyl)pi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O/c21-17-6-5-15(11-18(17)22)20(25)7-9-24(10-8-20)13-14-12-23-19-4-2-1-3-16(14)19/h1-6,11-12,23,25H,7-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
111n/an/an/an/an/an/an/an/a



National Institute on Drug Abuses

Curated by ChEMBL


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


J Med Chem 51: 6095-109 (2008)


Article DOI: 10.1021/jm800532x
BindingDB Entry DOI: 10.7270/Q2HM589Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50198284
PNG
(1-((1H-indol-3-yl)methyl)-4-(3,4-dichlorophenyl)pi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O/c21-17-6-5-15(11-18(17)22)20(25)7-9-24(10-8-20)13-14-12-23-19-4-2-1-3-16(14)19/h1-6,11-12,23,25H,7-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 41.5n/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 CHO cells assessed as inhibition of quinpirole stimulated mitogenesis


Bioorg Med Chem Lett 17: 745-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.076
BindingDB Entry DOI: 10.7270/Q2N879FG
More data for this
Ligand-Target Pair