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BDBM50033832 1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine::CHEMBL367723

SMILES: COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1

InChI Key: InChIKey=XGJBTUNWSSZAJD-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50033832   
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))
BDBM50033832
PNG
(1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H31F3N2O/c1-31-23-11-10-20-6-2-5-19(24(20)18-23)7-4-12-29-13-15-30(16-14-29)22-9-3-8-21(17-22)25(26,27)28/h3,8-11,17-19H,2,4-7,12-16H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.


J Med Chem 38: 942-9 (1995)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50033832
PNG
(1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H31F3N2O/c1-31-23-11-10-20-6-2-5-19(24(20)18-23)7-4-12-29-13-15-30(16-14-29)22-9-3-8-21(17-22)25(26,27)28/h3,8-11,17-19H,2,4-7,12-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 87.5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on sigma opioid receptor using [3H]-DTG as radioligand


J Med Chem 38: 942-9 (1995)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50033832
PNG
(1-[3-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C25H31F3N2O/c1-31-23-11-10-20-6-2-5-19(24(20)18-23)7-4-12-29-13-15-30(16-14-29)22-9-3-8-21(17-22)25(26,27)28/h3,8-11,17-19H,2,4-7,12-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 88.4n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand.


J Med Chem 38: 942-9 (1995)


BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair