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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 = 'BDBM50031297'   
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


(Homo sapiens (Human))		BDBM50031297
PNG
(7-(3-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1...)
Show SMILES Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H30F2N6O2/c1-31-25-24(26(36)32(2)27(31)37)35(18-30-25)13-3-12-33-14-16-34(17-15-33)23(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,18,23H,3,12-17H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2

J Med Chem 38: 4026-32 (1995)


BindingDB Entry DOI: 10.7270/Q2MK6DJG
More data for this
Ligand-Target Pair