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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM201121'   
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))
BDBM201121
PNG
(US9233953, 82)
Show SMILES Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
Show InChI InChI=1S/C23H27FN4O3S/c24-20-3-1-2-18(12-20)21-15-27(23-25-13-19(14-26-23)16-4-5-16)8-9-28(21)22(29)17-6-10-32(30,31)11-7-17/h1-3,12-14,16-17,21H,4-11,15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair