new BindingDB logo
myBDB logout

BDBM201060 US9233953, 21

SMILES: Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ccc(cn2)C(F)(F)F)c1F

InChI Key: InChIKey=KMCDFMRINCGIDQ-UHFFFAOYNA-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 = 201060   
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))
BDBM201060
PNG
(US9233953, 21)
Show SMILES Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2ccc(cn2)C(F)(F)F)c1F
Show InChI InChI=1/C22H22F5N3O3S/c23-17-3-1-2-16(20(17)24)18-13-29(19-5-4-15(12-28-19)22(25,26)27)8-9-30(18)21(31)14-6-10-34(32,33)11-7-14/h1-5,12,14,18H,6-11,13H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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