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BDBM50055000 1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine::CHEMBL147387

SMILES: COc1cccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc12

InChI Key: InChIKey=CQXXOUAHPSOSEL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50055000   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50055000
PNG
(1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1cccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc12 |t:7|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 191n/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))
BDBM50055000
PNG
(1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1cccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc12 |t:7|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 241n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50055000
PNG
(1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl...)
Show SMILES COc1cccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc12 |t:7|
Show InChI InChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 276n/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