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BDBM100927 US8524909, 115::US8524909, 12::US8524909, 44

SMILES: FC(F)(F)c1ccc(C(=O)N[C@@H]2COCC[C@H]2NC2CCCC2)c(c1)C1CC1

InChI Key: InChIKey=SFCADRZKHYKTKL-RTBURBONSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 100927   
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
Sodium- and chloride-dependent glycine transporter 1


(Bos taurus (Bovine))
BDBM100927
PNG
(US8524909, 115 | US8524909, 12 | US8524909, 44)
Show SMILES FC(F)(F)c1ccc(C(=O)N[C@@H]2COCC[C@H]2NC2CCCC2)c(c1)C1CC1 |r|
Show InChI InChI=1S/C21H27F3N2O2/c22-21(23,24)14-7-8-16(17(11-14)13-5-6-13)20(27)26-19-12-28-10-9-18(19)25-15-3-1-2-4-15/h7-8,11,13,15,18-19,25H,1-6,9-10,12H2,(H,26,27)/t18-,19-/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 299n/an/an/an/an/a0



Hoffmann-La Roche Inc.

US Patent


Assay Description
Glycine uptake inhibition assay.


US Patent US8524909 (2013)


BindingDB Entry DOI: 10.7270/Q2QJ7FXS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Bos taurus (Bovine))
BDBM100927
PNG
(US8524909, 115 | US8524909, 12 | US8524909, 44)
Show SMILES FC(F)(F)c1ccc(C(=O)N[C@@H]2COCC[C@H]2NC2CCCC2)c(c1)C1CC1 |r|
Show InChI InChI=1S/C21H27F3N2O2/c22-21(23,24)14-7-8-16(17(11-14)13-5-6-13)20(27)26-19-12-28-10-9-18(19)25-15-3-1-2-4-15/h7-8,11,13,15,18-19,25H,1-6,9-10,12H2,(H,26,27)/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 75n/an/an/an/an/a0



Hoffmann-La Roche Inc.

US Patent


Assay Description
Glycine uptake inhibition assay.


US Patent US8524909 (2013)


BindingDB Entry DOI: 10.7270/Q2QJ7FXS
More data for this
Ligand-Target Pair