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BDBM50042341 CHEMBL324750::Trifluoro-methanesulfonic acid 6-dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-yl ester

SMILES: CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=GQWGKLIYDKGPRT-UHFFFAOYSA-N

Data: 3 KI

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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 3 hits for monomerid = 50042341   
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))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
PDB

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PC cid
PC sid
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PubMed
28n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
64n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50042341
PNG
(CHEMBL324750 | Trifluoro-methanesulfonic acid 6-di...)
Show SMILES CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
160n/an/an/an/an/an/an/an/a



Medicinaregatan

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand


J Med Chem 36: 3409-16 (1993)


BindingDB Entry DOI: 10.7270/Q2X067NP
More data for this
Ligand-Target Pair