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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 50001232,50003334   
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
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50320523
PNG
(1-(3-(9H-carbazol-9-yl)propyl)-4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3
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Article
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Binding affinity to GAT3


Eur J Med Chem 45: 2453-66 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.029
BindingDB Entry DOI: 10.7270/Q2GH9J5D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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MCE
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Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in hamster BHK cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50203383
PNG
(CHEMBL228972 | N-(1-benzylpiperidin-4-yl)-2-naphth...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O/c26-23(21-11-10-19-8-4-5-9-20(19)16-21)24-22-12-14-25(15-13-22)17-18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,24,26)
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50250267
PNG
(CHEMBL1882801)
Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50250301
PNG
(CHEMBL4068983)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H22N2O3/c23-20(16-6-7-18-19(12-16)25-14-24-18)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,21,23)
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PC cid
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair