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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'fülep' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50437144
PNG
(CHEMBL1190271)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccccc23)C1 |r|
Show InChI InChI=1S/C22H26N2O3S/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-18-7-1-3-9-20(18)28-21-10-4-2-8-19(21)24/h1-4,7-10,17H,5-6,11-16H2,(H,25,26)/t17-/m1/s1
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n/an/a 309n/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Inhibition of GABA uptake at GAT-1 (unknown origin)


Eur J Med Chem 65: 487-99 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.063
BindingDB Entry DOI: 10.7270/Q20V8F5W
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50437145
PNG
(CHEMBL1196076)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3C=Cc3ccccc23)C1 |r,c:21|
Show InChI InChI=1S/C24H28N2O3/c27-24(28)21-8-5-13-25(18-21)14-16-29-17-15-26-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)26/h1-4,6-7,9-12,21H,5,8,13-18H2,(H,27,28)/t21-/m1/s1
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PubMed
n/an/a 646n/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Inhibition of GABA uptake at GAT-1 (unknown origin)


Eur J Med Chem 65: 487-99 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.063
BindingDB Entry DOI: 10.7270/Q20V8F5W
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50437146
PNG
(CHEMBL1189315)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C24H30N2O3/c27-24(28)21-8-5-13-25(18-21)14-16-29-17-15-26-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)26/h1-4,6-7,9-10,21H,5,8,11-18H2,(H,27,28)/t21-/m1/s1
PDB

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PubMed
n/an/a 3.98E+4n/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Inhibition of GABA uptake at GAT-1 (unknown origin)


Eur J Med Chem 65: 487-99 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.063
BindingDB Entry DOI: 10.7270/Q20V8F5W
More data for this
Ligand-Target Pair