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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 = 'BDBM50088579'   
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))		BDBM50088579
PNG
(CHEMBL3577343)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1S/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.20n/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