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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 = 50175901   
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))
BDBM50175901
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-propyl-1,3,8-tri...)
Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-14-25-17-23-21(26)22(25)12-15-24(16-13-22)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,20-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 450n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50175901
PNG
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-propyl-1,3,8-tri...)
Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-2-14-25-17-23-21(26)22(25)12-15-24(16-13-22)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,20-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 450n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA


Bioorg Med Chem Lett 16: 349-53 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.075
BindingDB Entry DOI: 10.7270/Q2XK8F42
More data for this
Ligand-Target Pair