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SMILES: COc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)S(C)(=O)=O)n2C)CC1

InChI Key: InChIKey=YYEYFORNJDYHJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029292   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50029292
PNG
(CHEMBL435198 | N-Isopropyl-N-{5-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)S(C)(=O)=O)n2C)CC1
Show InChI InChI=1S/C22H34N4O3S/c1-18(2)26(30(5,27)28)17-20-11-10-19(23(20)3)16-24-12-14-25(15-13-24)21-8-6-7-9-22(21)29-4/h6-11,18H,12-17H2,1-5H3
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PubMed
10n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair