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BDBM50043888 1-[3-(8-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine::CHEMBL266534

SMILES: COc1cccc2CCC=C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c12

InChI Key: InChIKey=BKHFZQKDLQQYGU-UHFFFAOYSA-N

Data: 2 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 = 50043888   
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))
BDBM50043888
PNG
(1-[3-(8-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2CCC=C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c12 |t:9|
Show InChI InChI=1S/C25H29F3N2O/c1-31-23-12-3-8-19-6-2-7-20(24(19)23)9-5-13-29-14-16-30(17-15-29)22-11-4-10-21(18-22)25(26,27)28/h3-4,7-8,10-12,18H,2,5-6,9,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 55.9n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit binding of radioligand [3H]-8-OH-DPAT to 5-hydroxytryptamine 1A receptor in rat cerebral cortex


J Med Chem 37: 99-104 (1994)


BindingDB Entry DOI: 10.7270/Q2NP23GP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50043888
PNG
(1-[3-(8-Methoxy-3,4-dihydro-naphthalen-1-yl)-propy...)
Show SMILES COc1cccc2CCC=C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c12 |t:9|
Show InChI InChI=1S/C25H29F3N2O/c1-31-23-12-3-8-19-6-2-7-20(24(19)23)9-5-13-29-14-16-30(17-15-29)22-11-4-10-21(18-22)25(26,27)28/h3-4,7-8,10-12,18H,2,5-6,9,13-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 644n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of binding of radioligand [3H]-spiroperidol to dopamine D2 receptor in rat striatal membranes


J Med Chem 37: 99-104 (1994)


BindingDB Entry DOI: 10.7270/Q2NP23GP
More data for this
Ligand-Target Pair