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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 = 'BDBM50368711'   
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))
BDBM50368711
PNG
(CHEMBL4176494)
Show SMILES CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3/t19-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry


J Med Chem 61: 7503-7524 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00300
BindingDB Entry DOI: 10.7270/Q2W66P9B
More data for this
Ligand-Target Pair