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BDBM50003618 1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethyl}-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid; hydrochloride::CHEMBL542207::CHEMBL77287

SMILES: OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1

InChI Key: InChIKey=CMHQDSBIBSKHFP-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50003618   
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
GABA transporter 1


(Rattus norvegicus)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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440n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GABA transporter (hBGT-1) activity.


J Med Chem 37: 2334-42 (1994)


Article DOI: 10.1021/jm00041a012
BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
GABA transporter 3


(Homo sapiens)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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n/an/a 3.33E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human sodium and chloride dependent GABA transporter 3


J Med Chem 37: 2334-42 (1994)


Article DOI: 10.1021/jm00041a012
BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
GABA transporter


(Rattus norvegicus)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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n/an/a 1.28E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)


J Med Chem 37: 2334-42 (1994)


Article DOI: 10.1021/jm00041a012
BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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PubMed
n/an/a 260n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human GABA transporter-1 (hGAT1)


J Med Chem 37: 2334-42 (1994)


Article DOI: 10.1021/jm00041a012
BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair