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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 2' and Ligand = 'BDBM50457691'   
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 2


(Homo sapiens (Human))		BDBM50457691
PNG
(CHEMBL4209849)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H21F4N3O4S/c1-3-35(32,33)16-8-9-21(34-14(2)23(25,26)27)17(10-16)22(31)29-11-15-12-30(28-19(15)13-29)20-7-5-4-6-18(20)24/h4-10,12,14H,3,11,13H2,1-2H3/t14-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation c...

J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair