BindingDB logo
myBDB logout

BDBM50322445 CHEMBL1172010::rac-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[4-(4-methoxy-phenyl)piperazin-1-yl]-methanone

SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1OC(C)C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=QANWINGSPSSLTA-UHFFFAOYSA-N

Data: 2 EC50

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 = 50322445   
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))
BDBM50322445
PNG
(CHEMBL1172010 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1OC(C)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O5S/c1-15(22(23,24)25)32-20-9-8-18(33(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(31-2)7-5-16/h4-9,14-15H,10-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 430n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50322445
PNG
(CHEMBL1172010 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1OC(C)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O5S/c1-15(22(23,24)25)32-20-9-8-18(33(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(31-2)7-5-16/h4-9,14-15H,10-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair