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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM141261'   
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))
BDBM141261
PNG
(US8653100, 155)
Show SMILES CC(C)(C)CS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H35ClN2O3S/c1-25(2,3)18-33(30,31)29-15-16-32-22-10-5-19-11-14-28-24(23(19)17-22)26(12-4-13-26)20-6-8-21(27)9-7-20/h5-10,17,24,28-29H,4,11-16,18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
<100n/an/an/an/an/an/a7.5n/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-17...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM141261
PNG
(US8653100, 155)
Show SMILES CC(C)(C)CS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H35ClN2O3S/c1-25(2,3)18-33(30,31)29-15-16-32-22-10-5-19-11-14-28-24(23(19)17-22)26(12-4-13-26)20-6-8-21(27)9-7-20/h5-10,17,24,28-29H,4,11-16,18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
[3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 ...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair