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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50044659   
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 2


(Homo sapiens (Human))
BDBM50023929
PNG
(CHEMBL3325502)
Show SMILES CN(C)CCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32)
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n/an/a 15n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023797
PNG
(CHEMBL3325511)
Show SMILES FC(F)(F)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33)
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n/an/a 52n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023926
PNG
(CHEMBL3325505)
Show SMILES FC(F)(F)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H27F3N2O2/c28-27(29,30)23-10-12-25(13-11-23)34-19-21-6-8-22(9-7-21)26(33)31-24-14-16-32(17-15-24)18-20-4-2-1-3-5-20/h1-13,24H,14-19H2,(H,31,33)
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n/an/a 62n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023866
PNG
(CHEMBL3325509)
Show SMILES OCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H25F3N2O3/c23-22(24,25)18-5-7-20(8-6-18)30-15-16-1-3-17(4-2-16)21(29)26-19-9-11-27(12-10-19)13-14-28/h1-8,19,28H,9-15H2,(H,26,29)
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n/an/a 66n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023928
PNG
(CHEMBL3325503)
Show SMILES CN(C)CCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H30F3N3O2/c1-29(2)15-16-30-13-11-21(12-14-30)28-23(31)19-5-3-18(4-6-19)17-32-22-9-7-20(8-10-22)24(25,26)27/h3-10,21H,11-17H2,1-2H3,(H,28,31)
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n/an/a 71n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023930
PNG
(CHEMBL3325501)
Show SMILES CN1CCC(CC1)N1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H32F3N3O2/c1-31-14-12-23(13-15-31)32-16-10-22(11-17-32)30-25(33)20-4-2-19(3-5-20)18-34-24-8-6-21(7-9-24)26(27,28)29/h2-9,22-23H,10-18H2,1H3,(H,30,33)
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n/an/a 80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023874
PNG
(CHEMBL3325508)
Show SMILES FCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F4N2O2/c23-11-14-28-12-9-19(10-13-28)27-21(29)17-3-1-16(2-4-17)15-30-20-7-5-18(6-8-20)22(24,25)26/h1-8,19H,9-15H2,(H,27,29)
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n/an/a 99n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023924
PNG
(CHEMBL3325507)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)
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n/an/a 105n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023925
PNG
(CHEMBL3325506)
Show SMILES CCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H25F3N2O2/c1-2-27-13-11-19(12-14-27)26-21(28)17-5-3-16(4-6-17)15-29-20-9-7-18(8-10-20)22(23,24)25/h3-10,19H,2,11-15H2,1H3,(H,26,28)
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n/an/a 107n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023993
PNG
(CHEMBL3325495)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H30F3N3O2/c1-30-13-11-22(12-14-30)31-15-10-21(16-31)29-24(32)19-4-2-18(3-5-19)17-33-23-8-6-20(7-9-23)25(26,27)28/h2-9,21-22H,10-17H2,1H3,(H,29,32)
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n/an/a 112n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023932
PNG
(CHEMBL3325499)
Show SMILES CN1CCC(CC1)N1CC[C@@H](C1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C25H30F3N3O2/c1-30-13-11-22(12-14-30)31-15-10-21(16-31)29-24(32)19-4-2-18(3-5-19)17-33-23-8-6-20(7-9-23)25(26,27)28/h2-9,21-22H,10-17H2,1H3,(H,29,32)/t21-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023824
PNG
(CHEMBL3325510)
Show SMILES OCCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H27F3N2O3/c24-23(25,26)19-6-8-21(9-7-19)31-16-17-2-4-18(5-3-17)22(30)27-20-10-13-28(14-11-20)12-1-15-29/h2-9,20,29H,1,10-16H2,(H,27,30)
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n/an/a 181n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024121
PNG
(CHEMBL3325490)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C28H39N3O2/c1-28(2,3)23-9-11-26(12-10-23)33-20-21-5-7-22(8-6-21)27(32)29-24-13-18-31(19-24)25-14-16-30(4)17-15-25/h5-12,24-25H,13-20H2,1-4H3,(H,29,32)
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n/an/a 250n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023927
PNG
(CHEMBL3325504)
Show SMILES CCCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H29F3N2O2/c1-2-3-14-29-15-12-21(13-16-29)28-23(30)19-6-4-18(5-7-19)17-31-22-10-8-20(9-11-22)24(25,26)27/h4-11,21H,2-3,12-17H2,1H3,(H,28,30)
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n/an/a 330n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023935
PNG
(CHEMBL3325498)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C24H29Cl2N3O2/c1-28-11-9-20(10-12-28)29-13-8-19(15-29)27-24(30)18-4-2-17(3-5-18)16-31-21-6-7-22(25)23(26)14-21/h2-7,14,19-20H,8-13,15-16H2,1H3,(H,27,30)
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n/an/a 361n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023931
PNG
(CHEMBL3325500)
Show SMILES CN1CCC(CC1)N1CC[C@H](C1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C25H30F3N3O2/c1-30-13-11-22(12-14-30)31-15-10-21(16-31)29-24(32)19-4-2-18(3-5-19)17-33-23-8-6-20(7-9-23)25(26,27)28/h2-9,21-22H,10-17H2,1H3,(H,29,32)/t21-/m1/s1
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n/an/a 363n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023973
PNG
(CHEMBL3325496)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C24H29Cl2N3O2/c1-28-11-9-21(10-12-28)29-13-8-20(15-29)27-24(30)18-4-2-17(3-5-18)16-31-23-7-6-19(25)14-22(23)26/h2-7,14,20-21H,8-13,15-16H2,1H3,(H,27,30)
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n/an/a 431n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024017
PNG
(CHEMBL3325494)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H30ClN3O2/c1-27-13-11-22(12-14-27)28-15-10-21(16-28)26-24(29)19-4-2-18(3-5-19)17-30-23-8-6-20(25)7-9-23/h2-9,21-22H,10-17H2,1H3,(H,26,29)
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n/an/a 440n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024125
PNG
(CHEMBL3325489)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C34H43N3O2/c1-34(2,3)29-13-15-32(16-14-29)39-25-27-9-11-28(12-10-27)33(38)35-30-17-22-37(24-30)31-18-20-36(21-19-31)23-26-7-5-4-6-8-26/h4-16,30-31H,17-25H2,1-3H3,(H,35,38)
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n/an/a 516n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50023937
PNG
(CHEMBL3325497)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H30ClN3O2/c1-27-12-10-22(11-13-27)28-14-9-21(16-28)26-24(29)19-7-5-18(6-8-19)17-30-23-4-2-3-20(25)15-23/h2-8,15,21-22H,9-14,16-17H2,1H3,(H,26,29)
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n/an/a 869n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024089
PNG
(CHEMBL3325449)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C24H31N3O2/c1-26-14-12-22(13-15-26)27-16-11-21(17-27)25-24(28)20-9-7-19(8-10-20)18-29-23-5-3-2-4-6-23/h2-10,21-22H,11-18H2,1H3,(H,25,28)
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n/an/a 879n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024115
PNG
(CHEMBL3325491)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCCCC2)cc1
Show InChI InChI=1S/C28H38N2O2/c1-28(2,3)23-13-15-26(16-14-23)32-20-21-9-11-22(12-10-21)27(31)29-24-17-18-30(19-24)25-7-5-4-6-8-25/h9-16,24-25H,4-8,17-20H2,1-3H3,(H,29,31)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024088
PNG
(CHEMBL3325493)
Show SMILES CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H30FN3O2/c1-27-13-11-22(12-14-27)28-15-10-21(16-28)26-24(29)19-4-2-18(3-5-19)17-30-23-8-6-20(25)7-9-23/h2-9,21-22H,10-17H2,1H3,(H,26,29)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024090
PNG
(CHEMBL3325492)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(COc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N2O2/c1-18(2)27-15-14-22(16-27)26-24(28)20-8-6-19(7-9-20)17-29-23-12-10-21(11-13-23)25(3,4)5/h6-13,18,22H,14-17H2,1-5H3,(H,26,28)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2


(Homo sapiens (Human))
BDBM50024131
PNG
(CHEMBL3325488)
Show SMILES CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C38H45N3O2/c1-38(2,3)33-14-16-36(17-15-33)43-27-28-8-12-31(13-9-28)37(42)39-34-18-23-41(26-34)35-19-21-40(22-20-35)25-29-10-11-30-6-4-5-7-32(30)24-29/h4-17,24,34-35H,18-23,25-27H2,1-3H3,(H,39,42)
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n/an/a 4.04E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs


Bioorg Med Chem Lett 24: 4603-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.059
BindingDB Entry DOI: 10.7270/Q2K64KN1
More data for this
Ligand-Target Pair