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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 = 'BDBM50382308'   
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))
BDBM50382308
PNG
(CHEMBL2024524)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-10.57,-12.75,;-9.23,-13.52,;-9.24,-15.06,;-7.9,-12.76,;-7.9,-11.22,;-6.57,-13.53,;-5.23,-12.76,;-5.23,-11.22,;-3.91,-10.44,;-2.58,-11.22,;-1.24,-10.45,;.09,-11.22,;1.43,-10.46,;2.75,-11.24,;4.08,-10.48,;4.1,-8.94,;2.77,-8.16,;1.42,-8.92,;5.44,-8.18,;6.76,-8.96,;8.1,-8.2,;8.11,-6.66,;9.45,-5.89,;6.77,-5.88,;5.44,-6.64,;-2.58,-12.76,;-3.91,-13.52,)|
Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-7-3-17(4-8-19)11-12-25-13-15-26(16-14-25)20-9-5-18(22)6-10-20/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,23,27)/t17-,19-
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Similars

Article
PubMed
392n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes


Bioorg Med Chem Lett 22: 3437-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN
More data for this
Ligand-Target Pair