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BDBM50069401 CHEMBL3403594

SMILES: [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1

InChI Key: InChIKey=MCYAEYLUXRQTGL-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50069401   
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


(Mus musculus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
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Article
PubMed
n/an/a 2.88E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
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Article
PubMed
n/an/a 6.92E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
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Article
PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.99E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069401
PNG
(CHEMBL3403594)
Show SMILES [#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O3/c21-17(22)11-12-19-13-14-23-20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair