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BDBM201164 US9233953, 124

SMILES: COc1ccc(cc1C(F)(F)F)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1

InChI Key: InChIKey=NJFOJGLBXVPYNX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 201164   
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))
BDBM201164
PNG
(US9233953, 124)
Show SMILES COc1ccc(cc1C(F)(F)F)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H27F3N2O4S/c1-33-22-8-7-19(15-20(22)24(25,26)27)28-11-12-29(21(16-28)17-5-3-2-4-6-17)23(30)18-9-13-34(31,32)14-10-18/h2-8,15,18,21H,9-14,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair