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SMILES: CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

InChI Key: InChIKey=WKKOHQLJDSOVDS-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 = 50322450   
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 1


(Homo sapiens (Human))
BDBM50322450
PNG
(CHEMBL1171648 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)11-14(15)18(31)30-9-7-29(8-10-30)17-6-5-16(27-28-17)20(24,25)26/h3-6,11-12H,7-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 900n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50322450
PNG
(CHEMBL1171648 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)11-14(15)18(31)30-9-7-29(8-10-30)17-6-5-16(27-28-17)20(24,25)26/h3-6,11-12H,7-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair