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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 = 50188845   
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))
BDBM50188845
PNG
(4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...)
Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 949n/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))
BDBM50188845
PNG
(4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...)
Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 949n/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