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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 = 'BDBM50137626'   
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


(Rattus norvegicus (Rat))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat dopamine D3 receptor using [11C]-GR-218,231


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.10n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]-IABN displacement.


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair