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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 = 'BDBM50034042'   
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))
BDBM50034042
PNG
(2,2,2-Trifluoro-1-(4-{3-[4-(6-fluoro-benzo[d]isoxa...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H24F4N2O4/c1-32-21-13-16(23(31)24(26,27)28)3-6-19(21)33-12-2-9-30-10-7-15(8-11-30)22-18-5-4-17(25)14-20(18)34-29-22/h3-6,13-15H,2,7-12H2,1H3
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PC cid
PC sid
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Patents


Similars

PubMed
n/an/a 169n/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