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BDBM50054996 1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine::CHEMBL357176

SMILES: COc1ccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc2c1

InChI Key: InChIKey=HTCBQRGEAMMAAA-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50054996   
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))
BDBM50054996
PNG
(1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1ccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc2c1 |t:6|
Show InChI InChI=1S/C23H28N2O/c1-26-23-10-9-20-17-19(7-8-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,17-18H,7-8,11-16H2,1H3
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spiroperidol as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054996
PNG
(1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1ccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc2c1 |t:6|
Show InChI InChI=1S/C23H28N2O/c1-26-23-10-9-20-17-19(7-8-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,17-18H,7-8,11-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using [3H]8-OH-DPAT as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50054996
PNG
(1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1ccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc2c1 |t:6|
Show InChI InChI=1S/C23H28N2O/c1-26-23-10-9-20-17-19(7-8-21(20)18-23)11-12-24-13-15-25(16-14-24)22-5-3-2-4-6-22/h2-6,9-10,17-18H,7-8,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using [3H]- ketanserin as radioligand


J Med Chem 39: 4928-34 (1997)


Article DOI: 10.1021/jm9604538
BindingDB Entry DOI: 10.7270/Q2ZG6SX1
More data for this
Ligand-Target Pair