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BDBM50448021 CHEMBL3115233

SMILES: CCCS(=O)(=O)N1CC(C1)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1

InChI Key: InChIKey=YWPDEJOQYNUKLM-UHFFFAOYSA-N

Data: 2 IC50

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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 = 50448021   
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
Glycine transporter 2


(Homo sapiens (Human))
BDBM50448021
PNG
(CHEMBL3115233)
Show SMILES CCCS(=O)(=O)N1CC(C1)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C20H22Cl2N2O3S/c1-2-10-28(26,27)24-12-15(13-24)19(14-6-4-3-5-7-14)23-20(25)17-9-8-16(21)11-18(17)22/h3-9,11,15,19H,2,10,12-13H2,1H3,(H,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT2 (unknown origin) assessed as [14C]-glycine transport


Bioorg Med Chem Lett 24: 1062-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50448021
PNG
(CHEMBL3115233)
Show SMILES CCCS(=O)(=O)N1CC(C1)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C20H22Cl2N2O3S/c1-2-10-28(26,27)24-12-15(13-24)19(14-6-4-3-5-7-14)23-20(25)17-9-8-16(21)11-18(17)22/h3-9,11,15,19H,2,10,12-13H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.27E+5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as [14C]-glycine transport


Bioorg Med Chem Lett 24: 1062-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350
More data for this
Ligand-Target Pair