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13 similar compounds to monomer 50322428

Compile data set for download or QSAR
Wt: 470.5
BDBM50265019		Wt: 445.5
BDBM50322425		Wt: 485.4
BDBM50322426		Wt: 499.4
BDBM50322427		Wt: 524.4
BDBM50322429
Wt: 542.4
BDBM50322430		Wt: 457.5
BDBM50322437		Wt: 470.5
BDBM50322444		Wt: 486.5
BDBM50322445		Wt: 534.5
BDBM50322446
Wt: 498.5
BDBM50322447		Wt: 558.9
BDBM50322448		Wt: 511.5
BDBM50332371

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50265019,50322425,50322426,50322427,50322429,50322430,50322437,50322444,50322445,50322446,50322447,50322448,50332371   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glycine transporter 1


(Homo sapiens (Human))		BDBM50265019
PNG
((2-isopropoxy-5-(methylsulfonyl)phenyl)(4-(4-(trif...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H25F3N2O4S/c1-15(2)31-20-9-8-18(32(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)17-6-4-16(5-7-17)22(23,24)25/h4-9,14-15H,10-13H2,1-3H3
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n/an/an/an/a 82n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter

Bioorg Med Chem Lett 18: 5134-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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
PDB
MMDB

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n/an/a 6.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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 1


(Homo sapiens (Human))		BDBM50332371
PNG
((S)-(5-(4-methylpiperazin-1-yl)isoindolin-2-yl)(5-...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)N1CCN(C)CC1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H28F3N3O4S/c1-16(24(25,26)27)34-22-7-6-20(35(3,32)33)13-21(22)23(31)30-14-17-4-5-19(12-18(17)15-30)29-10-8-28(2)9-11-29/h4-7,12-13,16H,8-11,14-15H2,1-3H3/t16-/m0/s1
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n/an/an/an/a 2.08E+3n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting

Bioorg Med Chem Lett 20: 6960-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.124
BindingDB Entry DOI: 10.7270/Q2K35TXV
More data for this
Ligand-Target Pair
Glycine transporter 2


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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


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



F. Hoffmann-La Roche Inc

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))		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/an/an/a 70n/an/an/an/a



F. Hoffmann-La Roche Inc

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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n/an/an/an/a 18n/an/an/an/a



F. Hoffmann-La Roche Inc

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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n/an/an/an/a 28n/an/an/an/a



F. Hoffmann-La Roche Inc

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))		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 Inc

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 Inc

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))		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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n/an/an/an/a 430n/an/an/an/a



F. Hoffmann-La Roche Inc

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 Inc

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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n/an/an/an/a 100n/an/an/an/a



F. Hoffmann-La Roche Inc

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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n/an/an/an/a 91n/an/an/an/a



F. Hoffmann-La Roche Inc

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 Inc

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 Inc

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
Potassium voltage-gated channel subfamily H member 2


(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 Inc

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
Potassium voltage-gated channel subfamily H member 2


(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 Inc

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
Potassium voltage-gated channel subfamily H member 2


(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 Inc

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
Potassium voltage-gated channel subfamily H member 2


(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 Inc

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


(Homo sapiens (Human))		BDBM50332371
PNG
((S)-(5-(4-methylpiperazin-1-yl)isoindolin-2-yl)(5-...)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)N1CCN(C)CC1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C24H28F3N3O4S/c1-16(24(25,26)27)34-22-7-6-20(35(3,32)33)13-21(22)23(31)30-14-17-4-5-19(12-18(17)15-30)29-10-8-28(2)9-11-29/h4-7,12-13,16H,8-11,14-15H2,1-3H3/t16-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 6960-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.124
BindingDB Entry DOI: 10.7270/Q2K35TXV
More data for this
Ligand-Target Pair