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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'polsky-fisher' and Initial = 'sl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent glycine transporter 1


(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))
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))
BDBM50248100
PNG
((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)
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n/an/a 4.40n/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))
BDBM50248128
PNG
(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)
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n/an/a 9.70n/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))
BDBM50248097
PNG
(2-(4-((2,4-dichlorobenzamido)methyl)-1-(propylsulf...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCC1OC(C)=O
Show InChI InChI=1S/C24H34Cl2N2O5S/c1-3-14-34(31,32)28-12-10-24(11-13-28,20-6-4-5-7-22(20)33-17(2)29)16-27-23(30)19-9-8-18(25)15-21(19)26/h8-9,15,20,22H,3-7,10-14,16H2,1-2H3,(H,27,30)
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n/an/a 18n/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))
BDBM50248063
PNG
(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)
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n/an/a 27n/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))
BDBM50248099
PNG
(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)
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n/an/a 30n/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))
BDBM50248098
PNG
(CHEMBL462148 | N-((4-(azetidin-1-yl)-1-(propylsulf...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)N1CCC1
Show InChI InChI=1S/C19H27Cl2N3O3S/c1-2-12-28(26,27)24-10-6-19(7-11-24,23-8-3-9-23)14-22-18(25)16-5-4-15(20)13-17(16)21/h4-5,13H,2-3,6-12,14H2,1H3,(H,22,25)
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n/an/a 38n/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))
BDBM50248130
PNG
(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)
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n/an/a 57n/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))
BDBM50248162
PNG
(2,4-dichloro-N-((1-(N,N-dimethylsulfamoyl)-4-(pyri...)
Show SMILES CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C20H24Cl2N4O3S/c1-25(2)30(28,29)26-11-8-20(9-12-26,18-5-3-4-10-23-18)14-24-19(27)16-7-6-15(21)13-17(16)22/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,27)
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n/an/a 77n/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))
BDBM50248127
PNG
(2,4-dichloro-N-((1-(2-hydroxypropylsulfonyl)-4-(py...)
Show SMILES CC(O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O4S/c1-15(27)13-31(29,30)26-10-7-21(8-11-26,19-4-2-3-9-24-19)14-25-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15,27H,7-8,10-11,13-14H2,1H3,(H,25,28)
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n/an/a 86n/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))
BDBM50248159
PNG
(CHEMBL463024 | N-((1-(butylsulfonyl)-4-(pyridin-2-...)
Show SMILES CCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-2-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-25-20)16-26-21(28)18-8-7-17(23)15-19(18)24/h4-8,11,15H,2-3,9-10,12-14,16H2,1H3,(H,26,28)
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n/an/a 120n/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))
BDBM50248160
PNG
(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)
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n/an/a 200n/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))
BDBM50248161
PNG
(2,4-dichloro-N-((1-(isopropylsulfonyl)-4-(pyridin-...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-15(2)30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)14-25-20(27)17-7-6-16(22)13-18(17)23/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3,(H,25,27)
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n/an/a 220n/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))
BDBM50248129
PNG
(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)
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n/an/a 300n/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))
BDBM50248208
PNG
(2,4-dichloro-N-((4-(pyridin-2-yl)-1-(2,2,2-trifluo...)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C20H20Cl2F3N3O3S/c21-14-4-5-15(16(22)11-14)18(29)27-12-19(17-3-1-2-8-26-17)6-9-28(10-7-19)32(30,31)13-20(23,24)25/h1-5,8,11H,6-7,9-10,12-13H2,(H,27,29)
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n/an/a 1.07E+3n/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))
BDBM50248207
PNG
(2,4-dichloro-N-((4-(pyridin-2-yl)-1-(trifluorometh...)
Show SMILES FC(F)(F)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C19H18Cl2F3N3O3S/c20-13-4-5-14(15(21)11-13)17(28)26-12-18(16-3-1-2-8-25-16)6-9-27(10-7-18)31(29,30)19(22,23)24/h1-5,8,11H,6-7,9-10,12H2,(H,26,28)
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n/an/a>5.00E+3n/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 2


(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>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248130
PNG
(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)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248100
PNG
((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)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248099
PNG
(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)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248063
PNG
(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)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248160
PNG
(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)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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))
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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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
PNG
(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)
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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
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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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
PNG
(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)
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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
PNG
((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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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
PNG
(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)
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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 glycine transporter 2


(Homo sapiens (Human))
BDBM50248129
PNG
(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)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(Homo sapiens (Human))
BDBM50248128
PNG
(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)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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 2


(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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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt2


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