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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM100929'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM100929
PNG
(US8524909, 120 | US8524909, 14 | US8524909, 49)
Show SMILES FC(F)(F)c1ccc(C(=O)N[C@@H]2COCC[C@H]2NC2CCCCC2)c(c1)C1CC1 |r|
Show InChI InChI=1S/C22H29F3N2O2/c23-22(24,25)15-8-9-17(18(12-15)14-6-7-14)21(28)27-20-13-29-11-10-19(20)26-16-4-2-1-3-5-16/h8-9,12,14,16,19-20,26H,1-7,10-11,13H2,(H,27,28)/t19-,20-/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 125n/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))
BDBM100929
PNG
(US8524909, 120 | US8524909, 14 | US8524909, 49)
Show SMILES FC(F)(F)c1ccc(C(=O)N[C@@H]2COCC[C@H]2NC2CCCCC2)c(c1)C1CC1 |r|
Show InChI InChI=1S/C22H29F3N2O2/c23-22(24,25)15-8-9-17(18(12-15)14-6-7-14)21(28)27-20-13-29-11-10-19(20)26-16-4-2-1-3-5-16/h8-9,12,14,16,19-20,26H,1-7,10-11,13H2,(H,27,28)/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/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