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Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'danks' and Initial = 'am'   
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


(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


(Homo sapiens (Human))
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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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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))
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))
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))
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))
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))
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


(Homo sapiens (Human))
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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n/an/a 6n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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


(Homo sapiens (Human))
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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n/an/a 7n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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


(Homo sapiens (Human))
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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n/an/a 8n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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))
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


(Homo sapiens (Human))
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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n/an/a 10n/an/an/an/an/an/a



Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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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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


(Homo sapiens (Human))
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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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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))
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))
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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in human HEK cells 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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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))
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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in human HEK cells 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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 human GlyT1 expressed in human HEK cells 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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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


(Homo sapiens (Human))
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 human GlyT1 expressed in human HEK cells 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))
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


(Homo sapiens (Human))
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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Dart Neuroscience

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in human HEK cells 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


(Homo sapiens (Human))
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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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


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
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