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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 = 'BDBM50322447'   
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))
BDBM50322447
PNG
(CHEMBL1171995 | rac-1-(4-{4-[5-Methanesulfonyl-2-(...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O5S/c1-15(29)17-4-6-18(7-5-17)27-10-12-28(13-11-27)22(30)20-14-19(34(3,31)32)8-9-21(20)33-16(2)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 91n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair