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PubMed code 21975065

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361576
PNG
(CHEMBL1939497 | CHEMBL1939498)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1I)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22F3IN2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)25)21(22,23)24/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361575
PNG
(CHEMBL1939495)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361575
PNG
(CHEMBL1939495)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361574
PNG
(CHEMBL1939496)
Show SMILES FC(F)(F)c1cccc(C(=O)N[C@H]([C@@H]2CCCCN2)c2ccccc2)c1I |r|
Show InChI InChI=1S/C20H20F3IN2O/c21-20(22,23)15-10-6-9-14(17(15)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
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PubMed
n/an/a 43n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361573
PNG
(CHEMBL1739063)
Show SMILES FC(F)(F)c1cccc(C(=O)N[C@H]([C@@H]2CCCCN2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50361573
PNG
(CHEMBL1739063)
Show SMILES FC(F)(F)c1cccc(C(=O)N[C@H]([C@@H]2CCCCN2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
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Article
PubMed
n/an/a 314n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in CHO cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid ...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50361576
PNG
(CHEMBL1939497 | CHEMBL1939498)
Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1I)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C21H22F3IN2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)25)21(22,23)24/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
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Article
PubMed
n/an/an/a 1.60n/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Binding affinity to GlyT1 in rat cortical brain homogenate after 60 mins by gamma counting


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%