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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50017439'   
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(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017439
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C(C3CCC2C=C3)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:9|
Show InChI InChI=1S/C21H29N5O3S/c27-20-18-16-4-6-17(7-5-16)19(18)30(28,29)26(20)11-2-1-10-24-12-14-25(15-13-24)21-22-8-3-9-23-21/h3-4,6,8-9,16-19H,1-2,5,7,10-15H2
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PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair