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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50505717'   
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(4) dopamine receptor


(Homo sapiens (Human))		BDBM50505717
PNG
(CHEMBL4583596)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)C#N)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C29H32Cl2N6O2/c1-39-28-6-3-2-5-27(28)36-17-15-35(16-18-36)14-4-13-33-29(38)34-37(26-12-11-24(30)19-25(26)31)21-23-9-7-22(20-32)8-10-23/h2-3,5-12,19H,4,13-18,21H2,1H3,(H2,33,34,38)
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 12n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay

J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
BindingDB Entry DOI: 10.7270/Q2GB27BJ
More data for this
Ligand-Target Pair