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PubMed code 20491477

Compile data set for download or QSAR
Found 91 hits of Enzyme Inhibition Constant Data   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322424
PNG
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)
Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322428
PNG
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322426
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)
Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322427
PNG
(CHEMBL1172999 | rac-Fluoro-4-{4-[5-methanesulfonyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F4N3O4S/c1-14(22(24,25)26)33-20-6-4-16(34(2,31)32)12-17(20)21(30)29-9-7-28(8-10-29)19-5-3-15(13-27)11-18(19)23/h3-6,11-12,14H,7-10H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322425
PNG
(3-Fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl-benz...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-15(2)30-21-7-5-17(31(3,28)29)13-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(14-24)12-19(20)23/h4-7,12-13,15H,8-11H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322430
PNG
(CHEMBL1172199 | rac-[4-(2-Fluoro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F7N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322435
PNG
(CHEMBL1169701 | rac-[4-(3-Chloro-5-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20ClF6N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322429
PNG
(CHEMBL1171499 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F6N2O4S/c1-14(21(23,24)25)34-19-8-7-17(35(2,32)33)13-18(19)20(31)30-11-9-29(10-12-30)16-5-3-15(4-6-16)22(26,27)28/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322431
PNG
(CHEMBL1170071 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F6N3O4S/c1-13(20(22,23)24)34-17-5-4-15(35(2,32)33)11-16(17)19(31)30-9-7-29(8-10-30)18-6-3-14(12-28-18)21(25,26)27/h3-6,11-13H,7-10H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322423
PNG
((S)-4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)pipe...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a>2.40E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a>2.40E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a>2.40E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a>2.40E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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n/an/a>2.40E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50416363
PNG
(CHEMBL2021601)
Show SMILES C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322432
PNG
(CHEMBL1171470 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)9-14(15)18(31)30-7-5-29(6-8-30)17-11-27-16(10-28-17)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322434
PNG
(CHEMBL1171472 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)30-7-5-29(6-8-30)13-10-27-18(28-11-13)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322433
PNG
(CHEMBL1171471 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)29-5-7-30(8-6-29)18-27-10-13(11-28-18)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322425
PNG
(3-Fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl-benz...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-15(2)30-21-7-5-17(31(3,28)29)13-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(14-24)12-19(20)23/h4-7,12-13,15H,8-11H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322442
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(tetrahydro-pyr...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H26FN3O5S/c1-34(30,31)19-3-5-23(33-18-6-12-32-13-7-18)20(15-19)24(29)28-10-8-27(9-11-28)22-4-2-17(16-26)14-21(22)25/h2-5,14-15,18H,6-13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322441
PNG
(4-[4-(2-Benzyloxy-5-methanesulfonyl-benzoyl)-piper...)
Show SMILES CS(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H24FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h2-10,15-16H,11-14,18H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322445
PNG
(CHEMBL1172010 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1OC(C)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O5S/c1-15(22(23,24)25)32-20-9-8-18(33(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(31-2)7-5-16/h4-9,14-15H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322430
PNG
(CHEMBL1172199 | rac-[4-(2-Fluoro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F7N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a 13n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322445
PNG
(CHEMBL1172010 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1OC(C)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O5S/c1-15(22(23,24)25)32-20-9-8-18(33(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(31-2)7-5-16/h4-9,14-15H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322432
PNG
(CHEMBL1171470 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)9-14(15)18(31)30-7-5-29(6-8-30)17-11-27-16(10-28-17)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322425
PNG
(3-Fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl-benz...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-15(2)30-21-7-5-17(31(3,28)29)13-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(14-24)12-19(20)23/h4-7,12-13,15H,8-11H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322437
PNG
(4-[4-(2-Cyclobutoxy-5-methanesulfonyl-benzoyl)-pip...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-6-8-22(31-17-3-2-4-17)19(14-18)23(28)27-11-9-26(10-12-27)21-7-5-16(15-25)13-20(21)24/h5-8,13-14,17H,2-4,9-12H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322428
PNG
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322448
PNG
(CHEMBL1170070 | rac-[4-(2-Chloro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21ClF6N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322427
PNG
(CHEMBL1172999 | rac-Fluoro-4-{4-[5-methanesulfonyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F4N3O4S/c1-14(22(24,25)26)33-20-6-4-16(34(2,31)32)12-17(20)21(30)29-9-7-28(8-10-29)19-5-3-15(13-27)11-18(19)23/h3-6,11-12,14H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322451
PNG
(CHEMBL1171650 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1C)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F6N3O4S/c1-13-10-15(22(26,27)28)12-29-19(13)30-6-8-31(9-7-30)20(32)17-11-16(36(3,33)34)4-5-18(17)35-14(2)21(23,24)25/h4-5,10-12,14H,6-9H2,1-3H3
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n/an/an/an/a 2.90E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322440
PNG
(4-[4-(2-Cyclohexylmethoxy-5-methanesulfonyl-benzoy...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H30FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h7-10,15-16,19H,2-6,11-14,18H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322452
PNG
(3-Fluoro-4-[4-(2-hydroxy-5-methanesulfonyl-benzoyl...)
Show SMILES CS(=O)(=O)c1ccc(O)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C19H18FN3O4S/c1-28(26,27)14-3-5-18(24)15(11-14)19(25)23-8-6-22(7-9-23)17-4-2-13(12-21)10-16(17)20/h2-5,10-11,24H,6-9H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50416363
PNG
(CHEMBL2021601)
Show SMILES C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m1/s1
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322444
PNG
(CHEMBL1171843 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(C)cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O4S/c1-15-4-6-17(7-5-15)26-10-12-27(13-11-26)21(28)19-14-18(32(3,29)30)8-9-20(19)31-16(2)22(23,24)25/h4-9,14,16H,10-13H2,1-3H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322446
PNG
(CHEMBL1173500 | rac-[4-(4-Methanesulfonyl-phenyl)-...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O6S2/c1-15(22(23,24)25)33-20-9-8-18(35(3,31)32)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(7-5-16)34(2,29)30/h4-9,14-15H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322453
PNG
(3-Fluoro-4-[4-(5-methanesulfonyl-2-methoxy-benzoyl...)
Show SMILES COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C20H20FN3O4S/c1-28-19-6-4-15(29(2,26)27)12-16(19)20(25)24-9-7-23(8-10-24)18-5-3-14(13-22)11-17(18)21/h3-6,11-12H,7-10H2,1-2H3
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n/an/an/an/a 9.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322455
PNG
(3-Fluoro-4-[4-(5-methanesulfonyl-2-propoxy-benzoyl...)
Show SMILES CCCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-3-12-30-21-7-5-17(31(2,28)29)14-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(15-24)13-19(20)23/h4-7,13-14H,3,8-12H2,1-2H3
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n/an/an/an/a 34n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322439
PNG
(4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H28FN3O4S/c1-34(31,32)20-8-10-24(33-19-5-3-2-4-6-19)21(16-20)25(30)29-13-11-28(12-14-29)23-9-7-18(17-27)15-22(23)26/h7-10,15-16,19H,2-6,11-14H2,1H3
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n/an/an/an/a 8n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322428
PNG
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3
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n/an/an/an/a 21n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322429
PNG
(CHEMBL1171499 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F6N2O4S/c1-14(21(23,24)25)34-19-8-7-17(35(2,32)33)13-18(19)20(31)30-11-9-29(10-12-30)16-5-3-15(4-6-16)22(26,27)28/h3-8,13-14H,9-12H2,1-2H3
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n/an/an/an/a 30n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322432
PNG
(CHEMBL1171470 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)9-14(15)18(31)30-7-5-29(6-8-30)17-11-27-16(10-28-17)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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n/an/an/an/a 110n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322423
PNG
((S)-4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)pipe...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322449
PNG
(CHEMBL1171469 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F6N3O4S/c1-13(20(22,23)24)34-17-5-4-15(35(2,32)33)11-16(17)19(31)30-9-7-29(8-10-30)14-3-6-18(28-12-14)21(25,26)27/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322452
PNG
(3-Fluoro-4-[4-(2-hydroxy-5-methanesulfonyl-benzoyl...)
Show SMILES CS(=O)(=O)c1ccc(O)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C19H18FN3O4S/c1-28(26,27)14-3-5-18(24)15(11-14)19(25)23-8-6-22(7-9-23)17-4-2-13(12-21)10-16(17)20/h2-5,10-11,24H,6-9H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322431
PNG
(CHEMBL1170071 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F6N3O4S/c1-13(20(22,23)24)34-17-5-4-15(35(2,32)33)11-16(17)19(31)30-9-7-29(8-10-30)18-6-3-14(12-28-18)21(25,26)27/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a 2.42E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322447
PNG
(CHEMBL1171995 | rac-1-(4-{4-[5-Methanesulfonyl-2-(...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O5S/c1-15(29)17-4-6-18(7-5-17)27-10-12-28(13-11-27)22(30)20-14-19(34(3,31)32)8-9-21(20)33-16(2)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322450
PNG
(CHEMBL1171648 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)11-14(15)18(31)30-9-7-29(8-10-30)17-6-5-16(27-28-17)20(24,25)26/h3-6,11-12H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322427
PNG
(CHEMBL1172999 | rac-Fluoro-4-{4-[5-methanesulfonyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F4N3O4S/c1-14(22(24,25)26)33-20-6-4-16(34(2,31)32)12-17(20)21(30)29-9-7-28(8-10-29)19-5-3-15(13-27)11-18(19)23/h3-6,11-12,14H,7-10H2,1-2H3
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n/an/an/an/a 44n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322441
PNG
(4-[4-(2-Benzyloxy-5-methanesulfonyl-benzoyl)-piper...)
Show SMILES CS(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H24FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h2-10,15-16H,11-14,18H2,1H3
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n/an/an/an/a 1.61E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322444
PNG
(CHEMBL1171843 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(C)cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O4S/c1-15-4-6-17(7-5-15)26-10-12-27(13-11-26)21(28)19-14-18(32(3,29)30)8-9-20(19)31-16(2)22(23,24)25/h4-9,14,16H,10-13H2,1-3H3
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n/an/an/an/a 310n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322433
PNG
(CHEMBL1171471 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)29-5-7-30(8-6-29)18-27-10-13(11-28-18)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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n/an/an/an/a 100n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322450
PNG
(CHEMBL1171648 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-15-4-3-13(35(2,32)33)11-14(15)18(31)30-9-7-29(8-10-30)17-6-5-16(27-28-17)20(24,25)26/h3-6,11-12H,7-10H2,1-2H3
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n/an/an/an/a 900n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322451
PNG
(CHEMBL1171650 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1C)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F6N3O4S/c1-13-10-15(22(26,27)28)12-29-19(13)30-6-8-31(9-7-30)20(32)17-11-16(36(3,33)34)4-5-18(17)35-14(2)21(23,24)25/h4-5,10-12,14H,6-9H2,1-3H3
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n/an/an/an/a 80n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50416363
PNG
(CHEMBL2021601)
Show SMILES C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m1/s1
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322453
PNG
(3-Fluoro-4-[4-(5-methanesulfonyl-2-methoxy-benzoyl...)
Show SMILES COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C20H20FN3O4S/c1-28-19-6-4-15(29(2,26)27)12-16(19)20(25)24-9-7-23(8-10-24)18-5-3-14(13-22)11-17(18)21/h3-6,11-12H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322434
PNG
(CHEMBL1171472 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)30-7-5-29(6-8-30)13-10-27-18(28-11-13)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322454
PNG
(4-[4-(2-Ethoxy-5-methanesulfonyl-benzoyl)-piperazi...)
Show SMILES CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C21H22FN3O4S/c1-3-29-20-7-5-16(30(2,27)28)13-17(20)21(26)25-10-8-24(9-11-25)19-6-4-15(14-23)12-18(19)22/h4-7,12-13H,3,8-11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322423
PNG
((S)-4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)pipe...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322439
PNG
(4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H28FN3O4S/c1-34(31,32)20-8-10-24(33-19-5-3-2-4-6-19)21(16-20)25(30)29-13-11-28(12-14-29)23-9-7-18(17-27)15-22(23)26/h7-10,15-16,19H,2-6,11-14H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50265098
PNG
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322454
PNG
(4-[4-(2-Ethoxy-5-methanesulfonyl-benzoyl)-piperazi...)
Show SMILES CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C21H22FN3O4S/c1-3-29-20-7-5-16(30(2,27)28)13-17(20)21(26)25-10-8-24(9-11-25)19-6-4-15(14-23)12-18(19)22/h4-7,12-13H,3,8-11H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322437
PNG
(4-[4-(2-Cyclobutoxy-5-methanesulfonyl-benzoyl)-pip...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-6-8-22(31-17-3-2-4-17)19(14-18)23(28)27-11-9-26(10-12-27)21-7-5-16(15-25)13-20(21)24/h5-8,13-14,17H,2-4,9-12H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322426
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)
Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322440
PNG
(4-[4-(2-Cyclohexylmethoxy-5-methanesulfonyl-benzoy...)
Show SMILES CS(=O)(=O)c1ccc(OCC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H30FN3O4S/c1-35(32,33)21-8-10-25(34-18-19-5-3-2-4-6-19)22(16-21)26(31)30-13-11-29(12-14-30)24-9-7-20(17-28)15-23(24)27/h7-10,15-16,19H,2-6,11-14,18H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322442
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(tetrahydro-pyr...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H26FN3O5S/c1-34(30,31)19-3-5-23(33-18-6-12-32-13-7-18)20(15-19)24(29)28-10-8-27(9-11-28)22-4-2-17(16-26)14-21(22)25/h2-5,14-15,18H,6-13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322443
PNG
(4-{4-[2-(2-Dimethylamino-ethoxy)-5-methanesulfonyl...)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN4O4S/c1-26(2)12-13-32-22-7-5-18(33(3,30)31)15-19(22)23(29)28-10-8-27(9-11-28)21-6-4-17(16-25)14-20(21)24/h4-7,14-15H,8-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322438
PNG
(4-[4-(2-Cyclopentyloxy-5-methanesulfonyl-benzoyl)-...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H26FN3O4S/c1-33(30,31)19-7-9-23(32-18-4-2-3-5-18)20(15-19)24(29)28-12-10-27(11-13-28)22-8-6-17(16-26)14-21(22)25/h6-9,14-15,18H,2-5,10-13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322424
PNG
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)
Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322430
PNG
(CHEMBL1172199 | rac-[4-(2-Fluoro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F7N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322424
PNG
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)
Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3
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n/an/an/an/a 10n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322448
PNG
(CHEMBL1170070 | rac-[4-(2-Chloro-4-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21ClF6N2O4S/c1-13(21(24,25)26)35-19-6-4-15(36(2,33)34)12-16(19)20(32)31-9-7-30(8-10-31)18-5-3-14(11-17(18)23)22(27,28)29/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a 200n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322449
PNG
(CHEMBL1171469 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F6N3O4S/c1-13(20(22,23)24)34-17-5-4-15(35(2,32)33)11-16(17)19(31)30-9-7-29(8-10-30)14-3-6-18(28-12-14)21(25,26)27/h3-6,11-13H,7-10H2,1-2H3
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n/an/an/an/a 80n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322434
PNG
(CHEMBL1171472 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)30-7-5-29(6-8-30)13-10-27-18(28-11-13)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50416362
PNG
(CHEMBL2021600)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322455
PNG
(3-Fluoro-4-[4-(5-methanesulfonyl-2-propoxy-benzoyl...)
Show SMILES CCCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-3-12-30-21-7-5-17(31(2,28)29)14-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(15-24)13-19(20)23/h4-7,13-14H,3,8-12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322426
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)
Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322443
PNG
(4-{4-[2-(2-Dimethylamino-ethoxy)-5-methanesulfonyl...)
Show SMILES CN(C)CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN4O4S/c1-26(2)12-13-32-22-7-5-18(33(3,30)31)15-19(22)23(29)28-10-8-27(9-11-28)21-6-4-17(16-25)14-20(21)24/h4-7,14-15H,8-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322435
PNG
(CHEMBL1169701 | rac-[4-(3-Chloro-5-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20ClF6N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322429
PNG
(CHEMBL1171499 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F6N2O4S/c1-14(21(23,24)25)34-19-8-7-17(35(2,32)33)13-18(19)20(31)30-11-9-29(10-12-30)16-5-3-15(4-6-16)22(26,27)28/h3-8,13-14H,9-12H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50322433
PNG
(CHEMBL1171471 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-12(19(21,22)23)34-16-4-3-14(35(2,32)33)9-15(16)17(31)29-5-7-30(8-6-29)18-27-10-13(11-28-18)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322438
PNG
(4-[4-(2-Cyclopentyloxy-5-methanesulfonyl-benzoyl)-...)
Show SMILES CS(=O)(=O)c1ccc(OC2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C24H26FN3O4S/c1-33(30,31)19-7-9-23(32-18-4-2-3-5-18)20(15-19)24(29)28-12-10-27(11-13-28)22-8-6-17(16-26)14-21(22)25/h6-9,14-15,18H,2-5,10-13H2,1H3
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n/an/an/an/a 12n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322446
PNG
(CHEMBL1173500 | rac-[4-(4-Methanesulfonyl-phenyl)-...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O6S2/c1-15(22(23,24)25)33-20-9-8-18(35(3,31)32)14-19(20)21(28)27-12-10-26(11-13-27)16-4-6-17(7-5-16)34(2,29)30/h4-9,14-15H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322447
PNG
(CHEMBL1171995 | rac-1-(4-{4-[5-Methanesulfonyl-2-(...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O5S/c1-15(29)17-4-6-18(7-5-17)27-10-12-28(13-11-27)22(30)20-14-19(34(3,31)32)8-9-21(20)33-16(2)23(24,25)26/h4-9,14,16H,10-13H2,1-3H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322431
PNG
(CHEMBL1170071 | rac-[5-Methanesulfonyl-2-(2,2,2-tr...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F6N3O4S/c1-13(20(22,23)24)34-17-5-4-15(35(2,32)33)11-16(17)19(31)30-9-7-29(8-10-30)18-6-3-14(12-28-18)21(25,26)27/h3-6,11-13H,7-10H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50322435
PNG
(CHEMBL1169701 | rac-[4-(3-Chloro-5-trifluoromethyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H20ClF6N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%