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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 = 'BDBM50427176'   
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))
BDBM50427176
PNG
(CHEMBL2324488)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCOCC1
Show InChI InChI=1S/C20H29Cl2N3O4S/c1-2-13-30(27,28)25-9-7-24(8-10-25)20(5-11-29-12-6-20)15-23-19(26)17-4-3-16(21)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/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