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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50132032'   
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))		BDBM50132032
PNG
(CHEMBL129035 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(\C=C\C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
Show InChI InChI=1S/C42H56N6O4/c1-51-39-13-5-3-11-37(39)47-31-27-45(28-32-47)25-9-7-23-43-41(49)21-19-35-15-17-36(18-16-35)20-22-42(50)44-24-8-10-26-46-29-33-48(34-30-46)38-12-4-6-14-40(38)52-2/h3-6,11-22H,7-10,23-34H2,1-2H3,(H,43,49)(H,44,50)/b21-19+,22-20+
PDB

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PC sid
UniChem

Similars
Article
PubMed
 3.60n/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