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BDBM50039240 1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl}-piperidine-3-carboxylic acid::CHEMBL78166

SMILES: COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1

InChI Key: InChIKey=WARULQPHNNRCJG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50039240   
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
Betaine transporter


(Homo sapiens)
BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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Article
PubMed
n/an/a 3.82E+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


(Rattus norvegicus)
BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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PubMed
n/an/a 6.20E+4n/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)
BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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PubMed
n/an/a 4.30E+4n/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
GABA transporter 3


(Homo sapiens)
BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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PubMed
n/an/a 2.50E+4n/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