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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycine transporter 1' and Monomerid = 50195181   
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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair