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BDBM50002168 3-{4-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole::CHEMBL339954

SMILES: COc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=KKBZGGCJLOKSKV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002168   
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))
BDBM50002168
PNG
(3-{4-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...)
Show SMILES COc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 |t:9|
Show InChI InChI=1S/C24H28N2O/c1-27-22-11-9-19(10-12-22)20-13-16-26(17-14-20)15-5-4-6-21-18-25-24-8-3-2-7-23(21)24/h2-3,7-13,18,25H,4-6,14-17H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
41n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002168
PNG
(3-{4-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...)
Show SMILES COc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 |t:9|
Show InChI InChI=1S/C24H28N2O/c1-27-22-11-9-19(10-12-22)20-13-16-26(17-14-20)15-5-4-6-21-18-25-24-8-3-2-7-23(21)24/h2-3,7-13,18,25H,4-6,14-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair