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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 = 'BDBM50034044'   
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))
BDBM50034044
PNG
(1-(4-{4-[4-(6-Chloro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCCN1CCC(CC1)c1noc2cc(Cl)ccc12)C(C)=O
Show InChI InChI=1S/C25H29ClN2O4/c1-17(29)19-5-8-22(24(15-19)30-2)31-14-4-3-11-28-12-9-18(10-13-28)25-21-7-6-20(26)16-23(21)32-27-25/h5-8,15-16,18H,3-4,9-14H2,1-2H3
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PC sid
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Patents


Similars

PubMed
n/an/a 110n/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