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Patent code US9045459

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 glycine transporter 1


(Homo sapiens (Human))
BDBM160585
PNG
(US9045459, 2)
Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCc2ccc(cc2C1)C(CN)Cc1ccccc1
Show InChI InChI=1S/C22H26N4O2S/c1-25-16-22(14-24-25)29(27,28)26-10-9-18-7-8-19(12-21(18)15-26)20(13-23)11-17-5-3-2-4-6-17/h2-8,12,14,16,20H,9-11,13,15,23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9045459 (2015)


BindingDB Entry DOI: 10.7270/Q28914M9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM160586
PNG
(US9045459, 3)
Show SMILES NCC(Cc1ccccc1)c1ccc2CCN(Cc2c1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C22H28N2O2S/c23-14-21(12-17-4-2-1-3-5-17)20-9-8-19-10-11-24(15-22(19)13-20)27(25,26)16-18-6-7-18/h1-5,8-9,13,18,21H,6-7,10-12,14-16,23H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9045459 (2015)


BindingDB Entry DOI: 10.7270/Q28914M9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM160584
PNG
(US9045459, 1)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C(CN)Cc1ccccc1
Show InChI InChI=1S/C22H26N4O2S/c1-25-15-22(24-16-25)29(27,28)26-10-9-18-7-8-19(12-21(18)14-26)20(13-23)11-17-5-3-2-4-6-17/h2-8,12,15-16,20H,9-11,13-14,23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1.00E+4n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9045459 (2015)


BindingDB Entry DOI: 10.7270/Q28914M9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%