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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 = 50195166   
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))
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/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)
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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