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SMILES: Cn1cnc(c1)S(=O)(=O)N1CC2CCC(NC(=O)C3CCCCC3)C2C1

InChI Key: InChIKey=DXIVVDJFDWAREB-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448004   
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))
BDBM50448004
PNG
(CHEMBL3115230)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC2CCC(NC(=O)C3CCCCC3)C2C1
Show InChI InChI=1S/C18H28N4O3S/c1-21-11-17(19-12-21)26(24,25)22-9-14-7-8-16(15(14)10-22)20-18(23)13-5-3-2-4-6-13/h11-16H,2-10H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.17E+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
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50448004
PNG
(CHEMBL3115230)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC2CCC(NC(=O)C3CCCCC3)C2C1
Show InChI InChI=1S/C18H28N4O3S/c1-21-11-17(19-12-21)26(24,25)22-9-14-7-8-16(15(14)10-22)20-18(23)13-5-3-2-4-6-13/h11-16H,2-10H2,1H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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