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BDBM100937 US8524909, 125::US8524909, 22

SMILES: COc1cc(cc(C)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1)C(F)(F)F

InChI Key: InChIKey=PLTVTYLSBCWJSJ-HUUCEWRRSA-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 = 100937   
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))
BDBM100937
PNG
(US8524909, 125 | US8524909, 22)
Show SMILES COc1cc(cc(C)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H25F3N2O3/c1-12-9-13(19(20,21)22)10-16(26-2)17(12)18(25)23-14-11-27-8-5-15(14)24-6-3-4-7-24/h9-10,14-15H,3-8,11H2,1-2H3,(H,23,25)/t14-,15-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 33.8n/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))
BDBM100937
PNG
(US8524909, 125 | US8524909, 22)
Show SMILES COc1cc(cc(C)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H25F3N2O3/c1-12-9-13(19(20,21)22)10-16(26-2)17(12)18(25)23-14-11-27-8-5-15(14)24-6-3-4-7-24/h9-10,14-15H,3-8,11H2,1-2H3,(H,23,25)/t14-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 105n/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