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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50361575'   
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
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361575
PNG
(CHEMBL1939495)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361575
PNG
(CHEMBL1939495)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...


Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361575
PNG
(CHEMBL1939495)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair