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SMILES: CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O

InChI Key: InChIKey=IIFAQXPNYXJBMU-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50308027   
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


(Homo sapiens (Human))
BDBM50308027
PNG
(1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine | ...)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
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PC sid
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Article
PubMed
664n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50308027
PNG
(1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine | ...)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50308027
PNG
(1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine | ...)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.26E+5n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from rat MAO-A receptor expressed in HEK293 cells


Eur J Med Chem 62: 241-55 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.031
BindingDB Entry DOI: 10.7270/Q27082RH
More data for this
Ligand-Target Pair