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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 = 'BDBM50427184'   
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))
BDBM50427184
PNG
(CHEMBL2324479)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(OC)cc(cc2C(F)(F)F)C(F)(F)F)CCCCC1
Show InChI InChI=1S/C24H33F6N3O4S/c1-3-13-38(35,36)33-11-9-32(10-12-33)22(7-5-4-6-8-22)16-31-21(34)20-18(24(28,29)30)14-17(23(25,26)27)15-19(20)37-2/h14-15H,3-13,16H2,1-2H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 23: 1257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.006
BindingDB Entry DOI: 10.7270/Q2WH2RB6
More data for this
Ligand-Target Pair