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Compile Data Set for Download or QSAR

Found 971 hits of ic50 for UniProtKB: P48067   
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


(Homo sapiens (Human))		BDBM50277866
PNG
(2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
Show InChI InChI=1S/C18H21Cl2N5O3S/c1-24-8-16(22-23-24)29(27,28)25-10-18(11-25,7-12-2-3-12)9-21-17(26)14-5-4-13(19)6-15(14)20/h4-6,8,12H,2-3,7,9-11H2,1H3,(H,21,26)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50277942
PNG
(2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-met...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(C1)c1ncccc1F
Show InChI InChI=1S/C19H17Cl2FN6O3S/c1-27-8-16(25-26-27)32(30,31)28-10-19(11-28,17-15(22)3-2-6-23-17)9-24-18(29)13-5-4-12(20)7-14(13)21/h2-8H,9-11H2,1H3,(H,24,29)
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n/an/a 0.310n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
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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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))		BDBM50178415
PNG
((2S)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phe...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@@H](C)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H21Cl2NO5/c1-12(21(28)29)25(2)10-9-22(13-7-5-4-6-8-13)19(26)14-11-15(30-3)17(23)18(24)16(14)20(22)27/h4-8,11-12H,9-10H2,1-3H3,(H,28,29)/t12-,22?/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50277943
PNG
(2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-met...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ncccc1F
Show InChI InChI=1S/C21H21Cl2FN6O3S/c1-29-12-18(27-28-29)34(32,33)30-9-6-21(7-10-30,19-17(24)3-2-8-25-19)13-26-20(31)15-5-4-14(22)11-16(15)23/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,26,31)
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n/an/a 0.650n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533742
PNG
(CHEMBL4593786)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C22H26ClF5N6O3S/c1-32-13-18(30-31-32)38(36,37)34-10-8-33(9-11-34)20(4-6-21(24,25)7-5-20)14-29-19(35)16-3-2-15(12-17(16)23)22(26,27)28/h2-3,12-13H,4-11,14H2,1H3,(H,29,35)
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n/an/a 0.671n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533732
PNG
(CHEMBL4526580)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C22H26ClF5N6O4S/c1-32-13-17(30-31-32)39(36,37)34-11-9-33(10-12-34)20(5-7-21(24,25)8-6-20)14-29-19(35)18-15(23)3-2-4-16(18)38-22(26,27)28/h2-4,13H,5-12,14H2,1H3,(H,29,35)
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n/an/a 0.726n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533748
PNG
(CHEMBL4468117)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C23H26F8N6O3S/c1-35-13-18(33-34-35)41(39,40)37-10-8-36(9-11-37)20(4-6-21(24,25)7-5-20)14-32-19(38)16-3-2-15(22(26,27)28)12-17(16)23(29,30)31/h2-3,12-13H,4-11,14H2,1H3,(H,32,38)
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n/an/a 0.733n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327829
PNG
(2-((R)-4-((S)-(3-bromophenyl)(phenyl)methyl)-2-met...)
Show SMILES C[C@@H]1CN(CCN1CC(O)=O)[C@@H](c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C20H23BrN2O2/c1-15-13-23(11-10-22(15)14-19(24)25)20(16-6-3-2-4-7-16)17-8-5-9-18(21)12-17/h2-9,12,15,20H,10-11,13-14H2,1H3,(H,24,25)/t15-,20+/m1/s1
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n/an/a 0.934n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178423
PNG
(2-((2-(4,5-dichloro-2-(4-fluorophenyl)-6-methoxy-1...)
Show SMILES COc1cc2C(=O)C(CCN(C)CC(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H18Cl2FNO5/c1-25(10-15(26)27)8-7-21(11-3-5-12(24)6-4-11)19(28)13-9-14(30-2)17(22)18(23)16(13)20(21)29/h3-6,9H,7-8,10H2,1-2H3,(H,26,27)
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n/an/a 0.950n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327832
PNG
(2-((R)-2-methyl-4-((R)-phenyl(3-(trifluoromethyl)p...)
Show SMILES C[C@@H]1CN(CCN1CC(O)=O)[C@H](c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N2O2/c1-15-13-26(11-10-25(15)14-19(27)28)20(16-6-3-2-4-7-16)17-8-5-9-18(12-17)21(22,23)24/h2-9,12,15,20H,10-11,13-14H2,1H3,(H,27,28)/t15-,20-/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460356
PNG
(CHEMBL4224734)
Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccncc1 |(37.75,-10.82,;37.75,-9.26,;36.4,-8.49,;36.4,-6.92,;37.75,-6.13,;39.1,-6.92,;39.1,-8.49,;38.49,-7.15,;37.39,-8.26,;40.45,-9.27,;40.45,-10.8,;41.78,-11.58,;43.11,-10.81,;41.78,-13.11,;40.45,-13.87,;39.1,-13.08,;40.44,-15.4,;41.78,-16.18,;43.11,-15.4,;43.1,-13.87,;44.45,-13.09,;41.78,-8.5,;41.78,-6.97,;43.1,-6.2,;44.44,-6.97,;44.44,-8.51,;43.11,-9.27,)|
Show InChI InChI=1S/C23H29N3O/c1-16-5-4-6-17(2)20(16)22(27)25-21(19-9-13-24-14-10-19)23-11-7-18(8-12-23)15-26(23)3/h4-6,9-10,13-14,18,21H,7-8,11-12,15H2,1-3H3,(H,25,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM201090
PNG
(US9233953, 51)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F4N3O4S/c21-15-3-1-13(2-4-15)16-12-26(18-11-17(31-25-18)20(22,23)24)7-8-27(16)19(28)14-5-9-32(29,30)10-6-14/h1-4,11,14,16H,5-10,12H2/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...

US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460344
PNG
(CHEMBL4228859)
Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1c(C)cccc1C)c1ccccc1 |r,wU:9.11,(15.28,-15.58,;15.28,-14.06,;13.95,-13.3,;13.95,-11.76,;15.28,-10.98,;16.61,-11.76,;16.61,-13.3,;16.01,-11.99,;14.93,-13.08,;17.93,-14.07,;17.93,-15.61,;19.26,-16.38,;20.6,-15.61,;19.26,-17.93,;17.92,-18.69,;16.6,-17.92,;17.92,-20.24,;19.26,-21.01,;20.6,-20.23,;20.6,-18.69,;21.92,-17.92,;19.27,-13.3,;20.6,-14.07,;21.94,-13.3,;21.94,-11.76,;20.6,-10.98,;19.26,-11.76,)|
Show InChI InChI=1S/C24H30N2O/c1-17-8-7-9-18(2)21(17)23(27)25-22(20-10-5-4-6-11-20)24-14-12-19(13-15-24)16-26(24)3/h4-11,19,22H,12-16H2,1-3H3,(H,25,27)/t19?,22-,24?/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460368
PNG
(CHEMBL4226039)
Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 |r,wU:9.11,(28.97,-44.71,;28.97,-43.19,;27.64,-42.43,;27.64,-40.9,;28.97,-40.12,;30.29,-40.9,;30.29,-42.43,;29.69,-41.12,;28.61,-42.21,;31.61,-43.2,;31.61,-44.74,;32.95,-45.51,;34.28,-44.74,;32.94,-47.06,;31.61,-47.82,;31.6,-49.36,;32.94,-50.14,;34.28,-49.36,;35.62,-50.12,;34.28,-47.82,;35.61,-47.04,;32.95,-42.43,;34.28,-43.2,;35.62,-42.43,;35.62,-40.89,;34.28,-40.12,;32.95,-40.89,)|
Show InChI InChI=1S/C22H24Cl2N2O/c1-26-14-15-10-12-22(26,13-11-15)20(16-6-3-2-4-7-16)25-21(27)17-8-5-9-18(23)19(17)24/h2-9,15,20H,10-14H2,1H3,(H,25,27)/t15?,20-,22?/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460371
PNG
(CHEMBL4228975)
Show SMILES CC(C)N1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:1:3:5.6:8.9|
Show InChI InChI=1S/C25H32N2O/c1-17(2)27-21-13-15-25(27,16-14-21)23(20-11-6-5-7-12-20)26-24(28)22-18(3)9-8-10-19(22)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460377
PNG
(CHEMBL4225587)
Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)CC1CC1 |(8.01,-25.32,;8.01,-23.77,;6.66,-23,;6.66,-21.44,;8.01,-20.64,;9.36,-21.44,;9.36,-23,;8.75,-21.66,;7.65,-22.77,;10.7,-23.77,;10.7,-25.31,;12.03,-26.08,;13.35,-25.31,;12.03,-27.61,;10.7,-28.36,;9.35,-27.58,;10.69,-29.89,;12.02,-30.67,;13.35,-29.89,;13.35,-28.36,;14.69,-27.58,;12.03,-23.01,;12.02,-21.48,;13.35,-20.72,;14.68,-21.48,;14.68,-23.01,;13.35,-23.78,;16.03,-20.7,;15.24,-19.35,;16.81,-19.35,;17.38,-21.48,;18.72,-20.7,;20.28,-20.69,;19.5,-19.34,)|
Show InChI InChI=1S/C28H36N2O3S/c1-19-5-4-6-20(2)25(19)27(31)29-26(28-15-13-21(14-16-28)17-30(28)3)23-9-11-24(12-10-23)34(32,33)18-22-7-8-22/h4-6,9-12,21-22,26H,7-8,13-18H2,1-3H3,(H,29,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460357
PNG
(CHEMBL4226364)
Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(C)o1 |(24.77,-10.28,;24.77,-8.72,;23.42,-7.95,;23.42,-6.39,;24.77,-5.59,;26.13,-6.39,;26.13,-7.95,;25.51,-6.61,;24.41,-7.72,;27.48,-8.73,;27.47,-10.26,;28.8,-11.04,;30.13,-10.27,;28.8,-12.57,;27.47,-13.33,;26.12,-12.54,;27.47,-14.86,;28.8,-15.63,;30.13,-14.86,;30.12,-13.33,;31.47,-12.54,;28.8,-7.96,;28.95,-6.44,;30.45,-6.11,;31.22,-7.44,;32.77,-7.6,;30.2,-8.58,)|
Show InChI InChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM201186
PNG
(US9233953, 148)
Show SMILES FC(F)(F)c1nnc(s1)N1CCN([C@@H](C1)c1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C17H18ClF3N4O3S3/c18-13-2-1-12(29-13)11-9-24(16-23-22-15(30-16)17(19,20)21)5-6-25(11)14(26)10-3-7-31(27,28)8-4-10/h1-2,10-11H,3-9H2/t11-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...

US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM201161
PNG
(US9233953, 121)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H25F3N2O3S/c24-23(25,26)19-6-8-20(9-7-19)27-12-13-28(21(16-27)17-4-2-1-3-5-17)22(29)18-10-14-32(30,31)15-11-18/h1-9,18,21H,10-16H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...

US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533727
PNG
(CHEMBL4456392)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(F)cc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26ClF3N6O3S/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(23)12-17(16)22/h2-3,12-13H,4-11,14H2,1H3,(H,26,32)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533730
PNG
(CHEMBL4582587)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26Cl2F2N6O3S/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(22)12-17(16)23/h2-3,12-13H,4-11,14H2,1H3,(H,26,32)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533749
PNG
(CHEMBL4516089)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C21H26Cl2F2N6O3S/c1-29-13-17(27-28-29)35(33,34)31-11-9-30(10-12-31)20(5-7-21(24,25)8-6-20)14-26-19(32)18-15(22)3-2-4-16(18)23/h2-4,13H,5-12,14H2,1H3,(H,26,32)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533723
PNG
(CHEMBL4572086)
Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C23H27ClF5N5O4S/c1-32-13-18(31-15-32)39(36,37)34-11-9-33(10-12-34)21(5-7-22(25,26)8-6-21)14-30-20(35)19-16(24)3-2-4-17(19)38-23(27,28)29/h2-4,13,15H,5-12,14H2,1H3,(H,30,35)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327844
PNG
(2-((R)-4-(cyclopropyl(3-(trifluoromethyl)phenyl)me...)
Show SMILES C[C@@H]1CN(CCN1CC(O)=O)C(C1CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H23F3N2O2/c1-12-10-23(8-7-22(12)11-16(24)25)17(13-5-6-13)14-3-2-4-15(9-14)18(19,20)21/h2-4,9,12-13,17H,5-8,10-11H2,1H3,(H,24,25)/t12-,17?/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533725
PNG
(CHEMBL4579165)
Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1
Show InChI InChI=1S/C21H28Cl2N6O3S/c1-27-14-19(25-26-27)33(31,32)29-11-9-28(10-12-29)21(7-3-2-4-8-21)15-24-20(30)17-6-5-16(22)13-18(17)23/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,30)
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327827
PNG
((R)-2-(4-benzhydryl-2-methylpiperazin-1-yl)acetic ...)
Show SMILES C[C@@H]1CN(CCN1CC(O)=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,23,24)/t16-/m1/s1
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n/an/a 1.51n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50277795
PNG
(2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-met...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ncccc1F
Show InChI InChI=1S/C22H22Cl2FN5O3S/c1-29-12-19(28-14-29)34(32,33)30-9-6-22(7-10-30,20-18(25)3-2-8-26-20)13-27-21(31)16-5-4-15(23)11-17(16)24/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3,(H,27,31)
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Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50278041
PNG
(2,4-dichloro-N-(((trans)-1-(cyclopropylmethyl)-4-(...)
Show SMILES Cn1cc(nn1)S(=O)(=O)[C@H]1CC[C@@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 |r,wU:12.26,9.9,wD:12.13,(28.49,-45.82,;27.6,-44.56,;28.09,-43.1,;26.85,-42.18,;25.6,-43.08,;26.06,-44.55,;26.86,-40.64,;28.4,-40.65,;25.32,-40.63,;26.79,-39.12,;25.46,-38.36,;25.47,-36.82,;26.81,-36.05,;28.14,-35.28,;29.47,-36.06,;30.81,-35.3,;30.82,-33.76,;32.14,-36.08,;32.12,-37.61,;33.45,-38.39,;34.79,-37.63,;36.12,-38.4,;34.79,-36.08,;33.46,-35.31,;33.46,-33.77,;25.46,-35.27,;25.46,-33.73,;26.23,-32.4,;24.69,-32.4,;28.14,-36.82,;28.13,-38.36,)|
Show InChI InChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28)/t16-,21-
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Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50278041
PNG
(2,4-dichloro-N-(((trans)-1-(cyclopropylmethyl)-4-(...)
Show SMILES Cn1cc(nn1)S(=O)(=O)[C@H]1CC[C@@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 |r,wU:12.26,9.9,wD:12.13,(28.49,-45.82,;27.6,-44.56,;28.09,-43.1,;26.85,-42.18,;25.6,-43.08,;26.06,-44.55,;26.86,-40.64,;28.4,-40.65,;25.32,-40.63,;26.79,-39.12,;25.46,-38.36,;25.47,-36.82,;26.81,-36.05,;28.14,-35.28,;29.47,-36.06,;30.81,-35.3,;30.82,-33.76,;32.14,-36.08,;32.12,-37.61,;33.45,-38.39,;34.79,-37.63,;36.12,-38.4,;34.79,-36.08,;33.46,-35.31,;33.46,-33.77,;25.46,-35.27,;25.46,-33.73,;26.23,-32.4,;24.69,-32.4,;28.14,-36.82,;28.13,-38.36,)|
Show InChI InChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28)/t16-,21-
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1a after 15 mins

ACS Med Chem Lett 1: 350-354 (2010)


Article DOI: 10.1021/ml1001085
BindingDB Entry DOI: 10.7270/Q2W09700
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178418
PNG
(2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phenyl-2...)
Show SMILES COc1cc2C(=O)C(CCN(C)CC(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C21H19Cl2NO5/c1-24(11-15(25)26)9-8-21(12-6-4-3-5-7-12)19(27)13-10-14(29-2)17(22)18(23)16(13)20(21)28/h3-7,10H,8-9,11H2,1-2H3,(H,25,26)
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50277757
PNG
(2,4-dichloro-N-((1-(cyclopropylmethylsulfonyl)-4-(...)
Show SMILES Fc1cccnc1C1(CNC(=O)c2ccc(Cl)cc2Cl)CCN(CC1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C22H24Cl2FN3O3S/c23-16-5-6-17(18(24)12-16)21(29)27-14-22(20-19(25)2-1-9-26-20)7-10-28(11-8-22)32(30,31)13-15-3-4-15/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13-14H2,(H,27,29)
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460353
PNG
(CHEMBL4225116)
Show SMILES Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1 |TLB:25:24:20.19:23.22|
Show InChI InChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM201081
PNG
(US9233953, 42)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F4N3O3S/c23-18-4-1-15(2-5-18)19-14-28(20-6-3-17(13-27-20)22(24,25)26)9-10-29(19)21(30)16-7-11-33(31,32)12-8-16/h1-6,13,16,19H,7-12,14H2/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...

US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533736
PNG
(CHEMBL4462009)
Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1
Show InChI InChI=1S/C22H29Cl2N5O3S/c1-27-14-20(26-16-27)33(31,32)29-11-9-28(10-12-29)22(7-3-2-4-8-22)15-25-21(30)18-6-5-17(23)13-19(18)24/h5-6,13-14,16H,2-4,7-12,15H2,1H3,(H,25,30)
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n/an/a 2.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327833
PNG
((S)-2-((R)-4-(bis(4-chlorophenyl)methyl)-3-methylp...)
Show SMILES C[C@H](N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@H](C)C1)C(O)=O
Show InChI InChI=1S/C21H24Cl2N2O2/c1-14-13-24(15(2)21(26)27)11-12-25(14)20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,14-15,20H,11-13H2,1-2H3,(H,26,27)/t14-,15+/m1/s1
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n/an/a 2.14n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50533733
PNG
(CHEMBL4532784)
Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C23H27ClF5N5O3S/c1-32-13-19(31-15-32)38(36,37)34-10-8-33(9-11-34)21(4-6-22(25,26)7-5-21)14-30-20(35)17-3-2-16(12-18(17)24)23(27,28)29/h2-3,12-13,15H,4-11,14H2,1H3,(H,30,35)
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n/an/a 2.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...

J Med Chem 59: 8473-94 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00914
BindingDB Entry DOI: 10.7270/Q23R0XC7
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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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))		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 2.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human 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


(Homo sapiens (Human))		BDBM50447893
PNG
(CHEMBL3114792)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake

Bioorg Med Chem Lett 24: 1067-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4
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))		BDBM50248651
PNG
(2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propy...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(C)n1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-13-31(29,30)27-11-9-22(10-12-27,20-6-4-5-16(2)26-20)15-25-21(28)18-8-7-17(23)14-19(18)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28)
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n/an/a 2.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1

Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50277944
PNG
(2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-ethyl-...)
Show SMILES CCn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
Show InChI InChI=1S/C19H23Cl2N5O3S/c1-2-25-9-17(23-24-25)30(28,29)26-11-19(12-26,8-13-3-4-13)10-22-18(27)15-6-5-14(20)7-16(15)21/h5-7,9,13H,2-4,8,10-12H2,1H3,(H,22,27)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting

Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50248641
PNG
(2-amino-6-chloro-N-((4-phenyl-1-(propylsulfonyl)pi...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1c(N)cccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter 1 (unknown origin) by HTS assay

Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM327842
PNG
(2-((R)-2-methyl-4-((R)-phenyl(4-(2-phenylethynyl)p...)
Show SMILES C[C@@H]1CN(CCN1CC(O)=O)[C@H](c1ccccc1)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H28N2O2/c1-22-20-30(19-18-29(22)21-27(31)32)28(25-10-6-3-7-11-25)26-16-14-24(15-17-26)13-12-23-8-4-2-5-9-23/h2-11,14-17,22,28H,18-21H2,1H3,(H,31,32)/t22-,28-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
This cell-based assay measures the ability of test compounds to inhibit the uptake of glycine by the glycine transporter type 1. Human placental chor...

US Patent US9663476 (2017)


BindingDB Entry DOI: 10.7270/Q2KK9DWS
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50248064
PNG
(2,4-dichloro-N-((4-(2-hydroxycyclohexyl)-1-(propyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCC1O
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(29,30)26-11-9-22(10-12-26,18-5-3-4-6-20(18)27)15-25-21(28)17-8-7-16(23)14-19(17)24/h7-8,14,18,20,27H,2-6,9-13,15H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1

Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178424
PNG
((2S)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phe...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@@H](CO)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H21Cl2NO6/c1-25(14(11-26)21(29)30)9-8-22(12-6-4-3-5-7-12)19(27)13-10-15(31-2)17(23)18(24)16(13)20(22)28/h3-7,10,14,26H,8-9,11H2,1-2H3,(H,29,30)/t14-,22?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50248062
PNG
(2,4-dichloro-N-((1-(propylsulfonyl)-4-((tetrahydro...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CCCCO2)CC1
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(28,29)26-10-8-22(9-11-26,15-18-5-3-4-12-30-18)16-25-21(27)19-7-6-17(23)14-20(19)24/h6-7,14,18H,2-5,8-13,15-16H2,1H3,(H,25,27)
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n/an/a 2.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1

Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50460354
PNG
(CHEMBL4228817)
Show SMILES CN1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:0:1:3.4:6.7|
Show InChI InChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM201162
PNG
(US9233953, 122)
Show SMILES Clc1ccc(cc1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H25ClN2O3S/c23-19-6-8-20(9-7-19)24-12-13-25(21(16-24)17-4-2-1-3-5-17)22(26)18-10-14-29(27,28)15-11-18/h1-9,18,21H,10-16H2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Cells expressing either endogenously the GlyT1 transporter like JAR cells (human placental choriocarcinoma cells; e.g. WO 2008/002583) or SK-N-MC cel...

US Patent US9233953 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BVM
More data for this
Ligand-Target Pair
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