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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 = 'BDBM50088581'   
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))		BDBM50088581
PNG
(CHEMBL3577345)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1S/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis

J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair