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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 = 'BDBM50034039'   
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))
BDBM50034039
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)20-7-5-19(15-22(20)29-2)30-13-3-10-27-11-8-17(9-12-27)24-21-6-4-18(25)14-23(21)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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PC sid
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Patents


Similars

PubMed
n/an/a 237n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum.


J Med Chem 38: 1119-31 (1995)


BindingDB Entry DOI: 10.7270/Q2S75H08
More data for this
Ligand-Target Pair