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BDBM50423223 CHEMBL239812

SMILES: O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1CCCC1C1CC1

InChI Key: InChIKey=JMVRBNGGLNYRTP-KKFHFHRHSA-N

Data: 2 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 = 50423223   
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))
BDBM50423223
PNG
(CHEMBL239812)
Show SMILES O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1CCCC1C1CC1
Show InChI InChI=1S/C20H26N2O3S/c23-17(14-22-12-4-8-19(22)16-10-11-16)13-21-26(24,25)20-9-3-6-15-5-1-2-7-18(15)20/h1-3,5-7,9,16-17,19,21,23H,4,8,10-14H2/t17-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in human GlyT1c expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1741-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.063
BindingDB Entry DOI: 10.7270/Q29W0GSG
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50423223
PNG
(CHEMBL239812)
Show SMILES O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1CCCC1C1CC1
Show InChI InChI=1S/C20H26N2O3S/c23-17(14-22-12-4-8-19(22)16-10-11-16)13-21-26(24,25)20-9-3-6-15-5-1-2-7-18(15)20/h1-3,5-7,9,16-17,19,21,23H,4,8,10-14H2/t17-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake in human GlyT1c expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1741-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.063
BindingDB Entry DOI: 10.7270/Q29W0GSG
More data for this
Ligand-Target Pair