new BindingDB logo
myBDB logout

BDBM201050 US9233953, 11

SMILES: Fc1ccc(cc1F)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F

InChI Key: InChIKey=ZVTJHJJNZORWDN-LGWFVXIRNA-N

Data: 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 1 hit for monomerid = 201050   
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))
BDBM201050
PNG
(US9233953, 11)
Show SMILES Fc1ccc(cc1F)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F |r|
Show InChI InChI=1/C21H21F5N4O3S/c22-16-2-1-14(9-17(16)23)18-12-29(20-27-10-15(11-28-20)21(24,25)26)5-6-30(18)19(31)13-3-7-34(32,33)8-4-13/h1-2,9-11,13,18H,3-8,12H2/t18-/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...


US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair