Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50028172 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50248651
(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) | PDB
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248641
(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 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248058
((S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyrid...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-25-20)16(2)26-21(28)18-8-7-17(23)15-19(18)24/h4-8,11,15-16H,3,9-10,12-14H2,1-2H3,(H,26,28)/t16-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248669
(2-chloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsul...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(C)n1 Show InChI InChI=1S/C22H28ClN3O3S/c1-3-15-30(28,29)26-13-11-22(12-14-26,20-10-6-7-17(2)25-20)16-24-21(27)18-8-4-5-9-19(18)23/h4-10H,3,11-16H2,1-2H3,(H,24,27) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248667
(2,4-dichloro-N-((4-(4-methylpyridin-2-yl)-1-(propy...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cc(C)ccn1 Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-12-31(29,30)27-10-7-22(8-11-27,20-13-16(2)6-9-25-20)15-26-21(28)18-5-4-17(23)14-19(18)24/h4-6,9,13-14H,3,7-8,10-12,15H2,1-2H3,(H,26,28) | PDB
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PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248059
((S)-2-chloro-3,5-difluoro-N-(1-(1-(propylsulfonyl)...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1cc(F)cc(F)c1Cl)c1ccccn1 |r| Show InChI InChI=1S/C22H26ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-26-19)15(2)27-21(29)17-13-16(24)14-18(25)20(17)23/h4-6,9,13-15H,3,7-8,10-12H2,1-2H3,(H,27,29)/t15-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248100
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27) | PDB
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PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248648
(3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(py...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(F)c2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H24ClF2N3O3S/c1-2-13-31(29,30)27-11-8-21(9-12-27,17-5-3-4-10-25-17)14-26-20(28)18-15(23)6-7-16(24)19(18)22/h3-7,10H,2,8-9,11-14H2,1H3,(H,26,28) | PDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248646
(2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-y...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(Cl)cccc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15H2,1H3,(H,25,27) | PDB
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| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248647
(2-amino-6-chloro-N-((1-(propylsulfonyl)-4-(pyridin...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(N)cccc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H27ClN4O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15,23H2,1H3,(H,25,27) | PDB
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PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248653
(2-chloro-N-((4-(6-methoxypyridin-2-yl)-1-(propylsu...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(OC)n1 Show InChI InChI=1S/C22H28ClN3O4S/c1-3-15-31(28,29)26-13-11-22(12-14-26,19-9-6-10-20(25-19)30-2)16-24-21(27)17-7-4-5-8-18(17)23/h4-10H,3,11-16H2,1-2H3,(H,24,27) | PDB
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248670
(2,4-dichloro-N-((4-(6-methoxypyridin-2-yl)-1-(prop...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(OC)n1 Show InChI InChI=1S/C22H27Cl2N3O4S/c1-3-13-32(29,30)27-11-9-22(10-12-27,19-5-4-6-20(26-19)31-2)15-25-21(28)17-8-7-16(23)14-18(17)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248125
(2,4-dichloro-N-((1-methyl-1'-(propylsulfonyl)-2,4'...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCN1C Show InChI InChI=1S/C22H33Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-26(20)2)16-25-21(28)18-8-7-17(23)15-19(18)24/h7-8,15,20H,3-6,9-14,16H2,1-2H3,(H,25,28) | PDB
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| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248681
(2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H26ClN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,19-9-5-6-12-23-19)16-24-20(26)17-7-3-4-8-18(17)22/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248013
((S)-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piper...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccccc1OC(F)(F)F)c1ccccn1 |r| Show InChI InChI=1S/C23H28F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-27-20)17(2)28-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,28,30)/t17-/m0/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248665
(CHEMBL517034 | N-((1-(propylsulfonyl)-4-(pyridin-2...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)(CC1)c1ccccn1 Show InChI InChI=1S/C22H26F3N3O4S/c1-2-15-33(30,31)28-13-10-21(11-14-28,19-9-5-6-12-26-19)16-27-20(29)17-7-3-4-8-18(17)32-22(23,24)25/h3-9,12H,2,10-11,13-16H2,1H3,(H,27,29) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248644
(2-methyl-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(CC1)c1ccccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248094
(CHEMBL460922 | N-((1-methyl-1'-(propylsulfonyl)-2,...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)(CC1)C1CCCCN1C Show InChI InChI=1S/C23H34F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-28(20)2)17-27-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-5,8-9,20H,3,6-7,10-17H2,1-2H3,(H,27,30) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248664
(CHEMBL465426 | N-((1-(propylsulfonyl)-4-(pyridin-2...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)(CC1)c1ccccn1 Show InChI InChI=1S/C22H26F3N3O3S/c1-2-15-32(30,31)28-13-10-21(11-14-28,19-9-5-6-12-26-19)16-27-20(29)17-7-3-4-8-18(17)22(23,24)25/h3-9,12H,2,10-11,13-16H2,1H3,(H,27,29) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248666
(2-chloro-N-((4-(4-methylpyridin-2-yl)-1-(propylsul...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cc(C)ccn1 Show InChI InChI=1S/C22H28ClN3O3S/c1-3-14-30(28,29)26-12-9-22(10-13-26,20-15-17(2)8-11-24-20)16-25-21(27)18-6-4-5-7-19(18)23/h4-8,11,15H,3,9-10,12-14,16H2,1-2H3,(H,25,27) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248126
(2-chloro-3,5-difluoro-N-((1-methyl-1'-(propylsulfo...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)cc(F)c2Cl)(CC1)C1CCCCN1C Show InChI InChI=1S/C22H32ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-27(19)2)15-26-21(29)17-13-16(24)14-18(25)20(17)23/h13-14,19H,3-12,15H2,1-2H3,(H,26,29) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248652
(CHEMBL465129 | N-((4-(6-methoxypyridin-2-yl)-1-(pr...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cccc(OC)n1 Show InChI InChI=1S/C22H29N3O4S/c1-3-16-30(27,28)25-14-12-22(13-15-25,19-10-7-11-20(24-19)29-2)17-23-21(26)18-8-5-4-6-9-18/h4-11H,3,12-17H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248643
(2-fluoro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2F)(CC1)c1ccccn1 Show InChI InChI=1S/C21H26FN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,19-9-5-6-12-23-19)16-24-20(26)17-7-3-4-8-18(17)22/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248668
(CHEMBL463238 | N-((4-(6-methylpyridin-2-yl)-1-(pro...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cccc(C)n1 Show InChI InChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-12-22(13-15-25,20-11-7-8-18(2)24-20)17-23-21(26)19-9-5-4-6-10-19/h4-11H,3,12-17H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248095
(2-chloro-N-((1-methyl-1'-(propylsulfonyl)-2,4'-bip...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)C1CCCCN1C Show InChI InChI=1S/C22H34ClN3O3S/c1-3-16-30(28,29)26-14-11-22(12-15-26,20-10-6-7-13-25(20)2)17-24-21(27)18-8-4-5-9-19(18)23/h4-5,8-9,20H,3,6-7,10-17H2,1-2H3,(H,24,27) | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248060
(2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-3-y...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccnc1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-12-30(28,29)26-10-7-21(8-11-26,16-4-3-9-24-14-16)15-25-20(27)18-6-5-17(22)13-19(18)23/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3,(H,25,27) | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248061
(2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-4-y...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccncc1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-7-21(8-12-26,16-5-9-24-10-6-16)15-25-20(27)18-4-3-17(22)14-19(18)23/h3-6,9-10,14H,2,7-8,11-13,15H2,1H3,(H,25,27) | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248682
(4-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)(CC1)c1ccccn1 Show InChI InChI=1S/C21H26ClN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,19-5-3-4-12-23-19)16-24-20(26)17-6-8-18(22)9-7-17/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248642
(CHEMBL518686 | N-((1-(propylsulfonyl)-4-(pyridin-2...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1ccccn1 Show InChI InChI=1S/C21H27N3O3S/c1-2-16-28(26,27)24-14-11-21(12-15-24,19-10-6-7-13-22-19)17-23-20(25)18-8-4-3-5-9-18/h3-10,13H,2,11-12,14-17H2,1H3,(H,23,25) | PDB
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248649
(CHEMBL517631 | N-((4-(4-methylpyridin-2-yl)-1-(pro...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cc(C)ccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248680
(2-methoxy-N-((4-phenyl-1-(propylsulfonyl)piperidin...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(CC1)c1ccccc1 Show InChI InChI=1S/C23H30N2O4S/c1-3-17-30(27,28)25-15-13-23(14-16-25,19-9-5-4-6-10-19)18-24-22(26)20-11-7-8-12-21(20)29-2/h4-12H,3,13-18H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248684
(3,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-y...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)(CC1)c1ccccn1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)16-6-7-17(22)18(23)14-16/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27) | PDB
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| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248093
(2-methyl-N-((1-methyl-1'-(propylsulfonyl)-2,4'-bip...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(CC1)C1CCCCN1C Show InChI InChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-12-23(13-16-26,21-11-7-8-14-25(21)3)18-24-22(27)20-10-6-5-9-19(20)2/h5-6,9-10,21H,4,7-8,11-18H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248673
(2,4-dichloro-N-((4-(6-morpholinopyridin-2-yl)-1-(p...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C25H32Cl2N4O4S/c1-2-16-36(33,34)31-10-8-25(9-11-31,18-28-24(32)20-7-6-19(26)17-21(20)27)22-4-3-5-23(29-22)30-12-14-35-15-13-30/h3-7,17H,2,8-16,18H2,1H3,(H,28,32) | PDB
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| n/a | n/a | 412 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248672
(2-chloro-N-((4-(6-morpholinopyridin-2-yl)-1-(propy...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C25H33ClN4O4S/c1-2-18-35(32,33)30-12-10-25(11-13-30,19-27-24(31)20-6-3-4-7-21(20)26)22-8-5-9-23(28-22)29-14-16-34-17-15-29/h3-9H,2,10-19H2,1H3,(H,27,31) | PDB
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| n/a | n/a | 482 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248683
(3-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)(CC1)c1ccccn1 Show InChI InChI=1S/C21H26ClN3O3S/c1-2-14-29(27,28)25-12-9-21(10-13-25,19-8-3-4-11-23-19)16-24-20(26)17-6-5-7-18(22)15-17/h3-8,11,15H,2,9-10,12-14,16H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 517 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248012
((R)-2-chloro-3,5-difluoro-N-(1-(1-(propylsulfonyl)...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@@H](C)NC(=O)c1cc(F)cc(F)c1Cl)c1ccccn1 |r| Show InChI InChI=1S/C22H26ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-26-19)15(2)27-21(29)17-13-16(24)14-18(25)20(17)23/h4-6,9,13-15H,3,7-8,10-12H2,1-2H3,(H,27,29)/t15-/m1/s1 | PDB
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| n/a | n/a | 576 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248011
((R)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyrid...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-25-20)16(2)26-21(28)18-8-7-17(23)15-19(18)24/h4-8,11,15-16H,3,9-10,12-14H2,1-2H3,(H,26,28)/t16-/m1/s1 | PDB
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| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248663
(3-methyl-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(C)c2)(CC1)c1ccccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-9-4-5-12-23-20)17-24-21(26)19-8-6-7-18(2)16-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | 833 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248010
((R)-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piper...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@@H](C)NC(=O)c1ccccc1OC(F)(F)F)c1ccccn1 |r| Show InChI InChI=1S/C23H28F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-27-20)17(2)28-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,28,30)/t17-/m1/s1 | PDB
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| n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248092
(CHEMBL518339 | N-((1-methyl-1'-(propylsulfonyl)-2,...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)C1CCCCN1C Show InChI InChI=1S/C22H35N3O3S/c1-3-17-29(27,28)25-15-12-22(13-16-25,20-11-7-8-14-24(20)2)18-23-21(26)19-9-5-4-6-10-19/h4-6,9-10,20H,3,7-8,11-18H2,1-2H3,(H,23,26) | PDB
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| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50248671
(CHEMBL463433 | N-((4-(6-morpholinopyridin-2-yl)-1-...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C25H34N4O4S/c1-2-19-34(31,32)29-13-11-25(12-14-29,20-26-24(30)21-7-4-3-5-8-21)22-9-6-10-23(27-22)28-15-17-33-18-16-28/h3-10H,2,11-20H2,1H3,(H,26,30) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Homo sapiens (Human)) | BDBM50248059
((S)-2-chloro-3,5-difluoro-N-(1-(1-(propylsulfonyl)...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1cc(F)cc(F)c1Cl)c1ccccn1 |r| Show InChI InChI=1S/C22H26ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-26-19)15(2)27-21(29)17-13-16(24)14-18(25)20(17)23/h4-6,9,13-15H,3,7-8,10-12H2,1-2H3,(H,27,29)/t15-/m0/s1 | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248100
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248684
(3,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-y...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)(CC1)c1ccccn1 Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)16-6-7-17(22)18(23)14-16/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248648
(3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(py...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(F)c2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H24ClF2N3O3S/c1-2-13-31(29,30)27-11-8-21(9-12-27,17-5-3-4-10-25-17)14-26-20(28)18-15(23)6-7-16(24)19(18)22/h3-7,10H,2,8-9,11-14H2,1H3,(H,26,28) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248647
(2-amino-6-chloro-N-((1-(propylsulfonyl)-4-(pyridin...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(N)cccc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H27ClN4O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15,23H2,1H3,(H,25,27) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248649
(CHEMBL517631 | N-((4-(4-methylpyridin-2-yl)-1-(pro...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cc(C)ccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248644
(2-methyl-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(CC1)c1ccccn1 Show InChI InChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 2
(Homo sapiens (Human)) | BDBM50248681
(2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H26ClN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,19-9-5-6-12-23-19)16-24-20(26)17-7-3-4-8-18(17)22/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26) | Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of glycine transporter 2 |
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 | |
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