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SMILES: CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(OC(F)(F)F)c2)CCCCC1

InChI Key: InChIKey=YZRAOMKEBFFPII-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427192   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50427192
PNG
(CHEMBL2324164)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(OC(F)(F)F)c2)CCCCC1
Show InChI InChI=1S/C22H32F3N3O4S/c1-2-15-33(30,31)28-13-11-27(12-14-28)21(9-4-3-5-10-21)17-26-20(29)18-7-6-8-19(16-18)32-22(23,24)25/h6-8,16H,2-5,9-15,17H2,1H3,(H,26,29)
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 23: 1257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.006
BindingDB Entry DOI: 10.7270/Q2WH2RB6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50427192
PNG
(CHEMBL2324164)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(OC(F)(F)F)c2)CCCCC1
Show InChI InChI=1S/C22H32F3N3O4S/c1-2-15-33(30,31)28-13-11-27(12-14-28)21(9-4-3-5-10-21)17-26-20(29)18-7-6-8-19(16-18)32-22(23,24)25/h6-8,16H,2-5,9-15,17H2,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 523n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 23: 1257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.006
BindingDB Entry DOI: 10.7270/Q2WH2RB6
More data for this
Ligand-Target Pair