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BDBM141308 US8653100, 202

SMILES: CCNC(=O)NCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=QLFAJOGCCYGPSO-UHFFFAOYNA-N

Data: 1 KI  1 IC50

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 = 141308   
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 1


(Homo sapiens (Human))
BDBM141308
PNG
(US8653100, 202)
Show SMILES CCNC(=O)NCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1/C26H35ClN4O4S/c1-2-28-25(32)30-15-17-36(33,34)31-14-16-35-22-9-4-19-10-13-29-24(23(19)18-22)26(11-3-12-26)20-5-7-21(27)8-6-20/h4-9,18,24,29,31H,2-3,10-17H2,1H3,(H2,28,30,32)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<1.00E+5n/an/an/an/an/an/a7.5n/a



AbbVie Inc

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-17...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM141308
PNG
(US8653100, 202)
Show SMILES CCNC(=O)NCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1/C26H35ClN4O4S/c1-2-28-25(32)30-15-17-36(33,34)31-14-16-35-22-9-4-19-10-13-29-24(23(19)18-22)26(11-3-12-26)20-5-7-21(27)8-6-20/h4-9,18,24,29,31H,2-3,10-17H2,1H3,(H2,28,30,32)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
[3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 ...


US Patent US8653100 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VH9
More data for this
Ligand-Target Pair