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BDBM50034368 CHEMBL28313::Trifluoro-methanesulfonic acid 7-propylamino-5,6,7,8-tetrahydro-naphthalen-1-yl ester

SMILES: CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1

InChI Key: InChIKey=ZRWGXXAMGVLDQT-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 50034368   
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 (5HT1A)


(Mus musculus (Mouse))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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PubMed
2.80n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
PDB

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PubMed
3.80n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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15n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor alpha by using [3H]5-HT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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108n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 by using [3H]U-86170 as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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PubMed
169n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor beta by using [3H]5-HT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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PubMed
>413n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 by using [3H]spiperone as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
PDB

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antibodypedia
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PubMed
691n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D3 by using [3H]spiperone as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
PDB

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PubMed
1.36E+3n/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