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Compile Data Set for Download or QSAR

Found 153 hits of ic50 for UniProtKB: P28572   
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


(attus norvegicus (Rat))
BDBM50457704
PNG
(CHEMBL4202565)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457706
PNG
(CHEMBL4216391)
Show SMILES CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H24FN3O4S/c1-23(2,3)31-21-10-9-16(32(4,29)30)11-17(21)22(28)26-12-15-13-27(25-19(15)14-26)20-8-6-5-7-18(20)24/h5-11,13H,12,14H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457693
PNG
(CHEMBL4218366)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 3.20n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457695
PNG
(CHEMBL4217712)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H25F2N5O3S/c1-16-11-18(5-8-27-16)31-14-17-13-30(15-21(17)28-31)23(32)20-12-19(35(2,33)34)3-4-22(20)29-9-6-24(25,26)7-10-29/h3-5,8,11-12,14H,6-7,9-10,13,15H2,1-2H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457694
PNG
(CHEMBL4211535)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N
Show InChI InChI=1S/C24H22F2N6O/c1-16-10-19(4-7-28-16)32-14-18-13-31(15-21(18)29-32)23(33)20-11-17(12-27)2-3-22(20)30-8-5-24(25,26)6-9-30/h2-4,7,10-11,14H,5-6,8-9,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457692
PNG
(CHEMBL4211012)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F4N3O4S/c1-13(22(24,25)26)33-20-8-7-15(34(2,31)32)9-16(20)21(30)28-10-14-11-29(27-18(14)12-28)19-6-4-3-5-17(19)23/h3-9,11,13H,10,12H2,1-2H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457689
PNG
(CHEMBL4206403)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C23H23F3N4O4S/c1-4-35(32,33)18-5-6-21(34-15(3)23(24,25)26)19(10-18)22(31)29-11-16-12-30(28-20(16)13-29)17-7-8-27-14(2)9-17/h5-10,12,15H,4,11,13H2,1-3H3/t15-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457685
PNG
(CHEMBL4210484)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O4S/c1-14(22(23,24)25)32-20-9-8-17(33(2,30)31)10-18(20)21(29)27-11-15-12-28(26-19(15)13-27)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543922
PNG
(CHEMBL4640428)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H19ClF6N2O5S/c1-10(20(23,24)25)35-14-4-5-15(36(3,32)33)18(34-2)16(14)19(31)30-8-11(9-30)17-13(22)6-12(7-29-17)21(26,27)28/h4-7,10-11H,8-9H2,1-3H3/t10-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543917
PNG
(CHEMBL4638182)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H20F4N4O5S/c1-12(22(24,25)26)35-16-5-6-17(36(3,32)33)20(34-2)19(16)21(31)29-9-13-10-30(28-15(13)11-29)18-7-4-14(23)8-27-18/h4-8,10,12H,9,11H2,1-3H3/t12-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
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n/an/a 7.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457714
PNG
(CHEMBL4214756)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C22H20F4N4O4S/c1-3-35(32,33)17-4-5-20(34-13(2)22(24,25)26)18(7-17)21(31)29-10-14-11-30(28-19(14)12-29)16-6-15(23)8-27-9-16/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
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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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457691
PNG
(CHEMBL4209849)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|
Show InChI InChI=1S/C23H21F4N3O4S/c1-3-35(32,33)16-8-9-21(34-14(2)23(25,26)27)17(10-16)22(31)29-11-15-12-30(28-19(15)13-29)20-7-5-4-6-18(20)24/h4-10,12,14H,3,11,13H2,1-2H3/t14-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457688
PNG
(CHEMBL4206639)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O4S/c1-12(21(23,24)25)33-19-4-3-16(34(2,31)32)6-17(19)20(30)28-9-13-10-29(27-18(13)11-28)15-5-14(22)7-26-8-15/h3-8,10,12H,9,11H2,1-2H3/t12-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195173
PNG
(2-chloro-4-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(23)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 10n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543918
PNG
(CHEMBL4646639)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H21F6NO5S/c1-12(21(23,24)25)34-16-8-9-17(35(3,31)32)19(33-2)18(16)20(30)29-10-14(11-29)13-4-6-15(7-5-13)22(26,27)28/h4-9,12,14H,10-11H2,1-3H3/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457710
PNG
(CHEMBL4210353)
Show SMILES CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C23H22F3N5O3S/c1-35(33,34)18-2-3-21(29-6-4-23(25,26)5-7-29)19(9-18)22(32)30-12-15-13-31(28-20(15)14-30)17-8-16(24)10-27-11-17/h2-3,8-11,13H,4-7,12,14H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457703
PNG
(CHEMBL4214250)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C24H18F2N4O3S/c1-34(32,33)20-5-6-21(15-3-2-4-17(25)7-15)22(9-20)24(31)29-12-16-13-30(28-23(16)14-29)19-8-18(26)10-27-11-19/h2-11,13H,12,14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457702
PNG
(CHEMBL4205995)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Show InChI InChI=1S/C25H19F2N3O3S/c1-34(32,33)19-9-10-20(16-5-4-6-18(26)11-16)21(12-19)25(31)29-13-17-14-30(28-23(17)15-29)24-8-3-2-7-22(24)27/h2-12,14H,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457687
PNG
(CHEMBL4205471)
Show SMILES CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Show InChI InChI=1S/C24H23F3N4O3S/c1-35(33,34)17-6-7-21(29-10-8-24(26,27)9-11-29)18(12-17)23(32)30-13-16-14-31(28-20(16)15-30)22-5-3-2-4-19(22)25/h2-7,12,14H,8-11,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457712
PNG
(CHEMBL4206122)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N3O4S/c1-14-5-4-6-17(9-14)29-12-16-11-28(13-20(16)27-29)22(30)19-10-18(34(3,31)32)7-8-21(19)33-15(2)23(24,25)26/h4-10,12,15H,11,13H2,1-3H3/t15-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543921
PNG
(CHEMBL4634285)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H19F7N2O5S/c1-10(20(23,24)25)35-14-4-5-15(36(3,32)33)18(34-2)16(14)19(31)30-8-11(9-30)17-13(22)6-12(7-29-17)21(26,27)28/h4-7,10-11H,8-9H2,1-3H3/t10-/m0/s1
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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543920
PNG
(CHEMBL4638896)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H20F6N2O5S/c1-11(20(22,23)24)34-15-6-7-16(35(3,31)32)18(33-2)17(15)19(30)29-9-12(10-29)14-5-4-13(8-28-14)21(25,26)27/h4-8,11-12H,9-10H2,1-3H3/t11-/m0/s1
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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457698
PNG
(CHEMBL4213968)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
Show InChI InChI=1S/C22H22FN3O4S/c1-14(2)30-21-9-8-16(31(3,28)29)10-17(21)22(27)25-11-15-12-26(24-19(15)13-25)20-7-5-4-6-18(20)23/h4-10,12,14H,11,13H2,1-3H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457713
PNG
(CHEMBL4218894)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C21H24F3N3O4S/c1-13(21(22,23)24)31-19-8-7-16(32(2,29)30)9-17(19)20(28)26-10-14-11-27(25-18(14)12-26)15-5-3-4-6-15/h7-9,11,13,15H,3-6,10,12H2,1-2H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195170
PNG
(2-chloro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H30ClN3O5S/c1-2-15-31(28,29)25-9-7-21(8-10-25,20(27)24-11-13-30-14-12-24)16-23-19(26)17-5-3-4-6-18(17)22/h3-6H,2,7-16H2,1H3,(H,23,26)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50195178
PNG
(2-chloro-6-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-14-32(29,30)26-8-6-21(7-9-26,20(28)25-10-12-31-13-11-25)15-24-19(27)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,24,27)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50102692
PNG
(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C
Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543916
PNG
(CHEMBL4639407)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C#N |r|
Show InChI InChI=1S/C22H17F4N5O3/c1-12(22(24,25)26)34-17-5-3-13(7-27)20(33-2)19(17)21(32)30-9-14-10-31(29-16(14)11-30)18-6-4-15(23)8-28-18/h3-6,8,10,12H,9,11H2,1-2H3/t12-/m0/s1
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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457697
PNG
(CHEMBL4215015)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C22H18F3N5O2/c1-13-7-17(5-6-27-13)30-11-16-10-29(12-19(16)28-30)21(31)18-8-15(9-26)3-4-20(18)32-14(2)22(23,24)25/h3-8,11,14H,10,12H2,1-2H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457711
PNG
(CHEMBL4211426)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Show InChI InChI=1S/C23H22FN3O4S/c1-32(29,30)17-8-9-22(31-14-15-6-7-15)18(10-17)23(28)26-11-16-12-27(25-20(16)13-26)21-5-3-2-4-19(21)24/h2-5,8-10,12,15H,6-7,11,13-14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457701
PNG
(CHEMBL4207171)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N
Show InChI InChI=1S/C22H21N5O2/c1-14(2)29-21-5-4-16(10-23)9-19(21)22(28)26-11-17-12-27(25-20(17)13-26)18-6-7-24-15(3)8-18/h4-9,12,14H,11,13H2,1-3H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543915
PNG
(CHEMBL4644636)
Show SMILES C[C@H](Oc1ccc(C#N)c(Cl)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF4N5O2/c1-11(21(24,25)26)33-16-4-2-12(6-27)19(22)18(16)20(32)30-8-13-9-31(29-15(13)10-30)17-5-3-14(23)7-28-17/h2-5,7,9,11H,8,10H2,1H3/t11-/m0/s1
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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50439754
PNG
(CHEMBL2419440)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C |(17.73,-47.68,;16.46,-48.55,;15.07,-47.89,;14.59,-46.43,;13.05,-46.43,;12.58,-47.9,;11.25,-48.66,;9.92,-47.87,;8.58,-48.63,;8.57,-50.17,;9.91,-50.95,;11.24,-50.19,;7.24,-50.94,;5.91,-50.15,;4.57,-50.92,;4.56,-52.46,;5.9,-53.23,;7.23,-52.47,;13.83,-48.8,;13.83,-50.34,;12.5,-51.11,;12.5,-52.65,;13.84,-53.42,;15.17,-52.65,;16.51,-53.42,;17.84,-54.17,;15.17,-51.1,;16.5,-50.33,)|
Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457705
PNG
(CHEMBL4212425)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N
Show InChI InChI=1S/C25H18FN5O/c1-16-9-21(7-8-28-16)31-14-19-13-30(15-24(19)29-31)25(32)23-10-17(12-27)5-6-22(23)18-3-2-4-20(26)11-18/h2-11,14H,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457709
PNG
(CHEMBL4211293)
Show SMILES CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H24F3N3O4S/c1-15(2)35(32,33)19-9-10-22(34-16(3)24(25,26)27)20(11-19)23(31)29-12-17-13-30(28-21(17)14-29)18-7-5-4-6-8-18/h4-11,13,15-16H,12,14H2,1-3H3/t16-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457690
PNG
(CHEMBL4205726)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C21H15F4N5O2/c1-12(21(23,24)25)32-19-3-2-13(6-26)4-17(19)20(31)29-9-14-10-30(28-18(14)11-29)16-5-15(22)7-27-8-16/h2-5,7-8,10,12H,9,11H2,1H3/t12-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50335008
PNG
(5-Biphenyl-4-yl-4-(2-fluorophenyl)-N-methyl-4H-1,2...)
Show SMILES CNc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(17.26,-39.7,;16.11,-40.73,;14.65,-40.25,;14.17,-38.79,;12.63,-38.79,;12.16,-40.25,;10.83,-41.03,;10.84,-42.57,;9.51,-43.34,;8.17,-42.57,;8.16,-41.04,;9.49,-40.26,;6.85,-43.35,;5.51,-42.58,;4.18,-43.35,;4.18,-44.9,;5.51,-45.67,;6.85,-44.9,;13.4,-41.16,;13.4,-42.69,;12.06,-43.45,;12.06,-44.99,;13.39,-45.77,;14.73,-44.99,;14.73,-43.45,;16.06,-42.68,)|
Show InChI InChI=1S/C21H17FN4/c1-23-21-25-24-20(26(21)19-10-6-5-9-18(19)22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,25)
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n/an/a 83n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50543919
PNG
(CHEMBL4645731)
Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H22F3NO5S/c1-13(21(22,23)24)30-16-9-10-17(31(3,27)28)19(29-2)18(16)20(26)25-11-15(12-25)14-7-5-4-6-8-14/h4-10,13,15H,11-12H2,1-3H3/t13-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50335006
PNG
(2-(3-Biphenyl-4-yl-5-methyl-4H-1,2,4-triazole-4-yl...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C#N |(2.17,-22.75,;.7,-22.27,;.23,-20.8,;-1.31,-20.8,;-1.79,-22.27,;-3.11,-23.04,;-3.11,-24.59,;-4.44,-25.36,;-5.77,-24.59,;-5.78,-23.06,;-4.46,-22.28,;-7.1,-25.36,;-8.43,-24.6,;-9.76,-25.37,;-9.77,-26.92,;-8.43,-27.69,;-7.09,-26.91,;-.55,-23.17,;-.55,-24.71,;-1.88,-25.47,;-1.89,-27.01,;-.55,-27.78,;.79,-27.01,;.78,-25.47,;2.11,-24.7,;3.44,-23.93,)|
Show InChI InChI=1S/C22H16N4/c1-16-24-25-22(26(16)21-10-6-5-9-20(21)15-23)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457707
PNG
(CHEMBL4210589)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|
Show InChI InChI=1S/C22H16F4N4O2/c1-13(22(24,25)26)32-20-7-6-14(9-27)8-16(20)21(31)29-10-15-11-30(28-18(15)12-29)19-5-3-2-4-17(19)23/h2-8,11,13H,10,12H2,1H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50439750
PNG
(CHEMBL2419441)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1ccccc1F |(35.66,-25.77,;34.52,-26.8,;33.06,-26.33,;32.58,-24.87,;31.04,-24.87,;30.56,-26.34,;29.23,-27.1,;27.9,-26.32,;26.57,-27.08,;26.56,-28.62,;27.89,-29.4,;29.23,-28.63,;25.22,-29.38,;23.89,-28.6,;22.55,-29.36,;22.55,-30.9,;23.88,-31.68,;25.22,-30.91,;31.81,-27.24,;31.82,-28.78,;30.49,-29.55,;30.49,-31.09,;31.82,-31.86,;33.16,-31.09,;33.15,-29.54,;34.48,-28.77,)|
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457708
PNG
(CHEMBL4202824)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N
Show InChI InChI=1S/C22H20N4O2/c1-15(2)28-21-9-8-16(11-23)10-19(21)22(27)25-12-17-13-26(24-20(17)14-25)18-6-4-3-5-7-18/h3-10,13,15H,12,14H2,1-2H3
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n/an/a 161n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457701
PNG
(CHEMBL4207171)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N
Show InChI InChI=1S/C22H21N5O2/c1-14(2)29-21-5-4-16(10-23)9-19(21)22(28)26-11-17-12-27(25-20(17)13-26)18-6-7-24-15(3)8-18/h4-9,12,14H,11,13H2,1-3H3
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n/an/a 172n/an/an/an/an/an/a



Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127214
BindingDB Entry DOI: 10.7270/Q29027C0
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50457696
PNG
(CHEMBL4214486)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
Show InChI InChI=1S/C21H18FN5O2/c1-13(2)29-20-4-3-14(7-23)5-18(20)21(28)26-10-15-11-27(25-19(15)12-26)17-6-16(22)8-24-9-17/h3-6,8-9,11,13H,10,12H2,1-2H3
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n/an/a 183n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50335001
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(14.8,-4.75,;13.34,-4.27,;12.87,-2.81,;11.33,-2.81,;10.85,-4.27,;9.53,-5.05,;9.53,-6.59,;8.2,-7.36,;6.86,-6.59,;6.86,-5.06,;8.18,-4.28,;5.54,-7.37,;4.2,-6.6,;2.88,-7.37,;2.87,-8.92,;4.21,-9.69,;5.54,-8.92,;12.09,-5.18,;12.09,-6.71,;10.76,-7.47,;10.75,-9.01,;12.09,-9.79,;13.43,-9.01,;13.42,-7.47,;14.75,-6.7,)|
Show InChI InChI=1S/C21H16FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(attus norvegicus (Rat))
BDBM50335004
PNG
(3-Biphenyl-4-yl-4-(2-chlorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1Cl |(15.78,-13.83,;14.32,-13.35,;13.85,-11.89,;12.3,-11.89,;11.83,-13.35,;10.5,-14.13,;10.51,-15.67,;9.18,-16.45,;7.84,-15.68,;7.83,-14.14,;9.16,-13.36,;6.51,-16.45,;5.18,-15.69,;3.85,-16.46,;3.85,-18,;5.18,-18.77,;6.52,-18,;13.07,-14.26,;13.07,-15.79,;11.73,-16.56,;11.73,-18.1,;13.06,-18.87,;14.4,-18.09,;14.4,-16.56,;15.73,-15.79,)|
Show InChI InChI=1S/C21H16ClN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells


J Med Chem 54: 387-91 (2011)


Article DOI: 10.1021/jm101031u
BindingDB Entry DOI: 10.7270/Q2H9965H
More data for this
Ligand-Target Pair
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