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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 = 50188868   
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))
BDBM50188868
PNG
(4-[1-(1-oxo-4-phenyl-2,8-diaza-spiro[4.5]dec-8-yl)...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccc(cc1)C#N
Show InChI InChI=1/C27H31N3O/c28-19-21-9-11-23(12-10-21)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(20-29-25(26)31)22-7-3-1-4-8-22/h1,3-4,7-12,24H,2,5-6,13-18,20H2,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188868
PNG
(4-[1-(1-oxo-4-phenyl-2,8-diaza-spiro[4.5]dec-8-yl)...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccc(cc1)C#N
Show InChI InChI=1/C27H31N3O/c28-19-21-9-11-23(12-10-21)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(20-29-25(26)31)22-7-3-1-4-8-22/h1,3-4,7-12,24H,2,5-6,13-18,20H2,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair