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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50160807'   
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))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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PC cid
PC sid
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Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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CHEMBL
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PC sid
UniChem

Patents


Similars

PubMed
14.8n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 158-65 (1993)


BindingDB Entry DOI: 10.7270/Q2TH8K60
More data for this
Ligand-Target Pair