Found 55 hits of ic50 for UniProtKB: P31641 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium- and chloride-dependent taurine transporter
(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) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195178
(2-chloro-6-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-14-32(29,30)26-8-6-21(7-9-26,20(28)25-10-12-31-13-11-25)15-24-19(27)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,24,27) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(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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| CHEMBL
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| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(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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| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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PubMed
| 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 taurine transporter |
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 taurine transporter
(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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| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(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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PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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 taurine transporter |
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 taurine transporter
(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 taurine transporter |
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 taurine transporter
(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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | Reactome pathway
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| Article
PubMed
| 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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) | 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 taurine transporter |
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 taurine transporter
(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 | 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 taurine transporter |
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 taurine transporter
(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 | 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 taurine transporter |
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 taurine transporter
(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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248062
(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) | 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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248063
(2,4-dichloro-N-((4-(2-methoxyethyl)-1-(propylsulfo...)Show SMILES CCCS(=O)(=O)N1CCC(CCOC)(CNC(=O)c2ccc(Cl)cc2Cl)CC1 Show InChI InChI=1S/C19H28Cl2N2O4S/c1-3-12-28(25,26)23-9-6-19(7-10-23,8-11-27-2)14-22-18(24)16-5-4-15(20)13-17(16)21/h4-5,13H,3,6-12,14H2,1-2H3,(H,22,24) | 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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248064
(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) | 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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248099
(2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(propylsu...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 Show InChI InChI=1S/C20H28Cl2N2O3S/c1-2-11-28(26,27)24-9-7-20(8-10-24,13-15-3-4-15)14-23-19(25)17-6-5-16(21)12-18(17)22/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,23,25) | 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 taurine transporter |
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 taurine transporter
(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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248129
(2,4-dichloro-N-((1-(methylsulfonyl)-4-(pyridin-2-y...)Show SMILES CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C19H21Cl2N3O3S/c1-28(26,27)24-10-7-19(8-11-24,17-4-2-3-9-22-17)13-23-18(25)15-6-5-14(20)12-16(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,23,25) | 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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248130
(2,4-dichloro-N-((1-(ethylsulfonyl)-4-(pyridin-2-yl...)Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C20H23Cl2N3O3S/c1-2-29(27,28)25-11-8-20(9-12-25,18-5-3-4-10-23-18)14-24-19(26)16-7-6-15(21)13-17(16)22/h3-7,10,13H,2,8-9,11-12,14H2,1H3,(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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248160
(2,4-dichloro-N-((1-(cyclopropylsulfonyl)-4-(pyridi...)Show SMILES Clc1ccc(C(=O)NCC2(CCN(CC2)S(=O)(=O)C2CC2)c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C21H23Cl2N3O3S/c22-15-4-7-17(18(23)13-15)20(27)25-14-21(19-3-1-2-10-24-19)8-11-26(12-9-21)30(28,29)16-5-6-16/h1-4,7,10,13,16H,5-6,8-9,11-12,14H2,(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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50248128
(2,4-dichloro-N-((1-(2-fluoropropylsulfonyl)-4-(pyr...)Show SMILES CC(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2FN3O3S/c1-15(24)13-31(29,30)27-10-7-21(8-11-27,19-4-2-3-9-25-19)14-26-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(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 taurine transporter |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195162
(2,4-dichloro-N-((4-(1-methylpiperazine-4-carbonyl)...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32Cl2N4O4S/c1-3-14-33(31,32)28-8-6-22(7-9-28,21(30)27-12-10-26(2)11-13-27)16-25-20(29)18-5-4-17(23)15-19(18)24/h4-5,15H,3,6-14,16H2,1-2H3,(H,25,29) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195165
(2,4-dichloro-N-((4-(cyclopropanecarbonyl)-1-(propy...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)C1CC1 Show InChI InChI=1S/C20H26Cl2N2O4S/c1-2-11-29(27,28)24-9-7-20(8-10-24,18(25)14-3-4-14)13-23-19(26)16-6-5-15(21)12-17(16)22/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,23,26) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195170
(2-chloro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H30ClN3O5S/c1-2-15-31(28,29)25-9-7-21(8-10-25,20(27)24-11-13-30-14-12-24)16-23-19(26)17-5-3-4-6-18(17)22/h3-6H,2,7-16H2,1H3,(H,23,26) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195171
(4-((2,4-dichlorobenzamido)methyl)-N-((3-methyloxet...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)NCC1(C)COC1 Show InChI InChI=1S/C22H31Cl2N3O5S/c1-3-10-33(30,31)27-8-6-22(7-9-27,20(29)26-12-21(2)14-32-15-21)13-25-19(28)17-5-4-16(23)11-18(17)24/h4-5,11H,3,6-10,12-15H2,1-2H3,(H,25,28)(H,26,29) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195167
(4-fluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2C(F)(F)F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H29F4N3O5S/c1-2-13-35(32,33)29-7-5-21(6-8-29,20(31)28-9-11-34-12-10-28)15-27-19(30)17-4-3-16(23)14-18(17)22(24,25)26/h3-4,14H,2,5-13,15H2,1H3,(H,27,30) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195172
(CHEMBL220987 | N-((4-(morpholine-4-carbonyl)-1-(pr...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H30F3N3O6S/c1-2-15-35(31,32)28-9-7-21(8-10-28,20(30)27-11-13-33-14-12-27)16-26-19(29)17-5-3-4-6-18(17)34-22(23,24)25/h3-6H,2,7-16H2,1H3,(H,26,29) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195163
(4-((2,4-dichlorobenzamido)methyl)-N,N-dimethyl-1-(...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N(C)C Show InChI InChI=1S/C19H27Cl2N3O4S/c1-4-11-29(27,28)24-9-7-19(8-10-24,18(26)23(2)3)13-22-17(25)15-6-5-14(20)12-16(15)21/h5-6,12H,4,7-11,13H2,1-3H3,(H,22,25) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195173
(2-chloro-4-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(23)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,24,27) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195175
(CHEMBL223491 | N-((4-(3-aminoazetidine-1-carbonyl)...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CC(N)C1 Show InChI InChI=1S/C20H28Cl2N4O4S/c1-2-9-31(29,30)26-7-5-20(6-8-26,19(28)25-11-15(23)12-25)13-24-18(27)16-4-3-14(21)10-17(16)22/h3-4,10,15H,2,5-9,11-13,23H2,1H3,(H,24,27) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195179
(2,6-difluoro-N-((4-(morpholine-4-carbonyl)-1-(prop...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H29F2N3O5S/c1-2-14-32(29,30)26-8-6-21(7-9-26,20(28)25-10-12-31-13-11-25)15-24-19(27)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,24,27) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195166
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195181
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195168
(2-fluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(cc2F)C(F)(F)F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H29F4N3O5S/c1-2-13-35(32,33)29-7-5-21(6-8-29,20(31)28-9-11-34-12-10-28)15-27-19(30)17-4-3-16(14-18(17)23)22(24,25)26/h3-4,14H,2,5-13,15H2,1H3,(H,27,30) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195177
(CHEMBL373556 | N-((4-(morpholine-4-carbonyl)-1-(pr...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)CC)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H31N3O5S/c1-3-13-26(23,24)20-7-5-17(6-8-20,14-18-15(21)4-2)16(22)19-9-11-25-12-10-19/h3-14H2,1-2H3,(H,18,21) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 taurine transporter
(Homo sapiens (Human)) | BDBM50195174
(CHEMBL220948 | N-((4-(morpholine-4-carbonyl)-1-(pr...)Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H31N3O5S/c1-2-16-30(27,28)24-10-8-21(9-11-24,20(26)23-12-14-29-15-13-23)17-22-19(25)18-6-4-3-5-7-18/h3-7H,2,8-17H2,1H3,(H,22,25) | 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 and Co.
Curated by ChEMBL
| Assay Description
Inhibition of human TauT |
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 | |
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