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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 = 'BDBM50034040'   
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))
BDBM50034040
PNG
(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(N)=O
Show InChI InChI=1S/C23H26FN3O4/c1-29-21-13-16(23(25)28)3-6-19(21)30-12-2-9-27-10-7-15(8-11-27)22-18-5-4-17(24)14-20(18)31-26-22/h3-6,13-15H,2,7-12H2,1H3,(H2,25,28)
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PC cid
PC sid
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Patents


Similars

PubMed
n/an/a 59n/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