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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50543916'   
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))
BDBM50543916
PNG
(CHEMBL4639407)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C#N |r|
Show InChI InChI=1S/C22H17F4N5O3/c1-12(22(24,25)26)34-17-5-3-13(7-27)20(33-2)19(17)21(32)30-9-14-10-31(29-16(14)11-30)18-6-4-15(23)8-28-18/h3-6,8,10,12H,9,11H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in human HEK cells assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543916
PNG
(CHEMBL4639407)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C#N |r|
Show InChI InChI=1S/C22H17F4N5O3/c1-12(22(24,25)26)34-17-5-3-13(7-27)20(33-2)19(17)21(32)30-9-14-10-31(29-16(14)11-30)18-6-4-15(23)8-28-18/h3-6,8,10,12H,9,11H2,1-2H3/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair