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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'puckey' and Initial = 'g'   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417494
PNG
(CHEMBL1288285)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H35ClF3N3O/c1-27(2,21-4-3-5-22(16-21)29(31,32)33)26(37)34-23-8-9-25(24(30)17-23)36-14-11-28(12-15-36)10-13-35(19-28)18-20-6-7-20/h3-5,8-9,16-17,20H,6-7,10-15,18-19H2,1-2H3,(H,34,37)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417479
PNG
(CHEMBL1288078)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N3O/c1-26(2,19-7-6-8-20(17-19)27(29,30)31)25(35)32-21-9-10-24(23(28)18-21)34-15-11-22(12-16-34)33-13-4-3-5-14-33/h6-10,17-18,22H,3-5,11-16H2,1-2H3,(H,32,35)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417493
PNG
(CHEMBL1288284)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H29ClF3N3O/c1-23(2,17-4-3-5-18(14-17)25(27,28)29)22(33)31-19-6-7-21(20(26)15-19)32-12-9-24(10-13-32)8-11-30-16-24/h3-7,14-15,30H,8-13,16H2,1-2H3,(H,31,33)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417488
PNG
(CHEMBL1288200)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H31ClF3N3O/c1-25(2,18-4-3-5-19(14-18)26(28,29)30)24(34)32-21-8-9-23(22(27)15-21)33-12-10-20(11-13-33)31-16-17-6-7-17/h3-5,8-9,14-15,17,20,31H,6-7,10-13,16H2,1-2H3,(H,32,34)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417487
PNG
(CHEMBL1288199)
Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
Show InChI InChI=1S/C26H34ClN3O/c1-18-5-4-6-20(15-18)26(2,3)25(31)29-22-9-10-24(23(27)16-22)30-13-11-21(12-14-30)28-17-19-7-8-19/h4-6,9-10,15-16,19,21,28H,7-8,11-14,17H2,1-3H3,(H,29,31)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414468
PNG
(CHEMBL1196581 | CHEMBL557502)
Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y-Y2 receptor


(Rattus norvegicus)
BDBM50414468
PNG
(CHEMBL1196581 | CHEMBL557502)
Show SMILES COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat NPY Y2 receptor expressed in HEK cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417475
PNG
(CHEMBL1288016)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C30H34ClN3O/c31-27-22-25(14-15-28(27)34-20-16-26(17-21-34)33-18-8-3-9-19-33)32-30(35)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,26,29H,3,8-9,16-21H2,(H,32,35)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y-Y2 receptor


(Rattus norvegicus)
BDBM50417471
PNG
(CHEMBL1287953)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N5O/c1-25(2,23-32-11-7-22(34-23)27(29,30)31)24(37)33-19-5-6-21(20(28)15-19)36-13-9-26(10-14-36)8-12-35(17-26)16-18-3-4-18/h5-7,11,15,18H,3-4,8-10,12-14,16-17H2,1-2H3,(H,33,37)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat NPY Y2 receptor expressed in HEK cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417478
PNG
(CHEMBL1288077)
Show SMILES Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C27H36ClN3O/c1-20-8-7-9-21(18-20)27(2,3)26(32)29-22-10-11-25(24(28)19-22)31-16-12-23(13-17-31)30-14-5-4-6-15-30/h7-11,18-19,23H,4-6,12-17H2,1-3H3,(H,29,32)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y-Y2 receptor


(Rattus norvegicus)
BDBM50417475
PNG
(CHEMBL1288016)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C30H34ClN3O/c31-27-22-25(14-15-28(27)34-20-16-26(17-21-34)33-18-8-3-9-19-33)32-30(35)29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,26,29H,3,8-9,16-21H2,(H,32,35)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat NPY Y2 receptor expressed in HEK cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417484
PNG
(CHEMBL1288169)
Show SMILES CC(C)CNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C25H34ClN3O/c1-18(2)17-27-20-12-14-29(15-13-20)23-11-10-21(16-22(23)26)28-24(30)25(3,4)19-8-6-5-7-9-19/h5-11,16,18,20,27H,12-15,17H2,1-4H3,(H,28,30)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417477
PNG
(CHEMBL1288049)
Show SMILES Clc1cc(NC(=O)C2(CCC2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H34ClN3O/c28-24-20-22(29-26(32)27(14-7-15-27)21-8-3-1-4-9-21)10-11-25(24)31-18-12-23(13-19-31)30-16-5-2-6-17-30/h1,3-4,8-11,20,23H,2,5-7,12-19H2,(H,29,32)
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417486
PNG
(CHEMBL1288170)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C25H32ClN3O/c1-25(2,19-6-4-3-5-7-19)24(30)28-21-10-11-23(22(26)16-21)29-14-12-20(13-15-29)27-17-18-8-9-18/h3-7,10-11,16,18,20,27H,8-9,12-15,17H2,1-2H3,(H,28,30)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417495
PNG
(CHEMBL1287870)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2F)c(Cl)c1
Show InChI InChI=1S/C22H25ClFN3O2/c1-22(2,3)21(29)25-15-8-9-19(17(23)14-15)26-10-12-27(13-11-26)20(28)16-6-4-5-7-18(16)24/h4-9,14H,10-13H2,1-3H3,(H,25,29)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417471
PNG
(CHEMBL1287953)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N5O/c1-25(2,23-32-11-7-22(34-23)27(29,30)31)24(37)33-19-5-6-21(20(28)15-19)36-13-9-26(10-14-36)8-12-35(17-26)16-18-3-4-18/h5-7,11,15,18H,3-4,8-10,12-14,16-17H2,1-2H3,(H,33,37)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417473
PNG
(CHEMBL1287985)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H27ClFN3O/c1-22(2,3)21(28)25-18-7-8-20(19(23)14-18)27-11-9-26(10-12-27)15-16-5-4-6-17(24)13-16/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417474
PNG
(CHEMBL1288015)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H27ClFN3O/c1-22(2,3)21(28)25-18-8-9-20(19(23)14-18)27-12-10-26(11-13-27)15-16-4-6-17(24)7-5-16/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417472
PNG
(CHEMBL1287954)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H28ClN3O/c1-22(2,3)21(27)24-18-9-10-20(19(23)15-18)26-13-11-25(12-14-26)16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417496
PNG
(CHEMBL1287898)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2cccc(F)c2)c(Cl)c1
Show InChI InChI=1S/C22H25ClFN3O2/c1-22(2,3)21(29)25-17-7-8-19(18(23)14-17)26-9-11-27(12-10-26)20(28)15-5-4-6-16(24)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,25,29)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417483
PNG
(CHEMBL1288139)
Show SMILES CCCNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C24H32ClN3O/c1-4-14-26-19-12-15-28(16-13-19)22-11-10-20(17-21(22)25)27-23(29)24(2,3)18-8-6-5-7-9-18/h5-11,17,19,26H,4,12-16H2,1-3H3,(H,27,29)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417476
PNG
(CHEMBL1288048)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C26H34ClN3O/c1-26(2,20-9-5-3-6-10-20)25(31)28-21-11-12-24(23(27)19-21)30-17-13-22(14-18-30)29-15-7-4-8-16-29/h3,5-6,9-12,19,22H,4,7-8,13-18H2,1-2H3,(H,28,31)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417480
PNG
(CHEMBL1287814)
Show SMILES Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C29H33ClN4O/c30-25-21-23(12-13-27(25)34-19-14-24(15-20-34)33-17-7-2-8-18-33)32-29(35)28(22-9-3-1-4-10-22)26-11-5-6-16-31-26/h1,3-6,9-13,16,21,24,28H,2,7-8,14-15,17-20H2,(H,32,35)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417498
PNG
(CHEMBL1287984)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1
Show InChI InChI=1S/C22H27ClFN3O/c1-22(2,3)21(28)25-17-8-9-20(18(23)14-17)27-12-10-26(11-13-27)15-16-6-4-5-7-19(16)24/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417490
PNG
(CHEMBL1288227)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C24H29ClF3N5O/c1-23(2,21-29-10-7-20(32-21)24(26,27)28)22(34)31-17-5-6-19(18(25)13-17)33-11-8-16(9-12-33)30-14-15-3-4-15/h5-7,10,13,15-16,30H,3-4,8-9,11-12,14H2,1-2H3,(H,31,34)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414446
PNG
(CHEMBL539730)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H26ClN3O2/c1-22(2,3)21(28)24-17-9-10-19(18(23)15-17)25-11-13-26(14-12-25)20(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H,24,28)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417497
PNG
(CHEMBL1287899)
Show SMILES CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C22H25ClFN3O2/c1-22(2,3)21(29)25-17-8-9-19(18(23)14-17)26-10-12-27(13-11-26)20(28)15-4-6-16(24)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,25,29)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417492
PNG
(CHEMBL1288257)
Show SMILES CCC(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ncccn1
Show InChI InChI=1S/C23H30ClN5O/c1-2-19(22-25-10-3-11-26-22)23(30)28-18-6-7-21(20(24)14-18)29-12-8-17(9-13-29)27-15-16-4-5-16/h3,6-7,10-11,14,16-17,19,27H,2,4-5,8-9,12-13,15H2,1H3,(H,28,30)
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417491
PNG
(CHEMBL1288256)
Show SMILES Cc1ccnc(n1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
Show InChI InChI=1S/C24H32ClN5O/c1-16-8-11-26-22(28-16)24(2,3)23(31)29-19-6-7-21(20(25)14-19)30-12-9-18(10-13-30)27-15-17-4-5-17/h6-8,11,14,17-18,27H,4-5,9-10,12-13,15H2,1-3H3,(H,29,31)
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417482
PNG
(CHEMBL1288138)
Show SMILES CC(C)NC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C24H32ClN3O/c1-17(2)26-19-12-14-28(15-13-19)22-11-10-20(16-21(22)25)27-23(29)24(3,4)18-8-6-5-7-9-18/h5-11,16-17,19,26H,12-15H2,1-4H3,(H,27,29)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417489
PNG
(CHEMBL1288226)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ccccn1
Show InChI InChI=1S/C24H31ClN4O/c1-24(2,22-5-3-4-12-26-22)23(30)28-19-8-9-21(20(25)15-19)29-13-10-18(11-14-29)27-16-17-6-7-17/h3-5,8-9,12,15,17-18,27H,6-7,10-11,13-14,16H2,1-2H3,(H,28,30)
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50417481
PNG
(CHEMBL1288108)
Show SMILES CCNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
Show InChI InChI=1S/C23H30ClN3O/c1-4-25-18-12-14-27(15-13-18)21-11-10-19(16-20(21)24)26-22(28)23(2,3)17-8-6-5-7-9-17/h5-11,16,18,25H,4,12-15H2,1-3H3,(H,26,28)
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50417471
PNG
(CHEMBL1287953)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N5O/c1-25(2,23-32-11-7-22(34-23)27(29,30)31)24(37)33-19-5-6-21(20(28)15-19)36-13-9-26(10-14-36)8-12-35(17-26)16-18-3-4-18/h5-7,11,15,18H,3-4,8-10,12-14,16-17H2,1-2H3,(H,33,37)
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>3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK cells by FLIPR/Ca2+ assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50417471
PNG
(CHEMBL1287953)
Show SMILES CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C27H33ClF3N5O/c1-25(2,23-32-11-7-22(34-23)27(29,30)31)24(37)33-19-5-6-21(20(28)15-19)36-13-9-26(10-14-36)8-12-35(17-26)16-18-3-4-18/h5-7,11,15,18H,3-4,8-10,12-14,16-17H2,1-2H3,(H,33,37)
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>6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y1 receptor expressed in CHO cells by GTPgammaS35 binding assay


Bioorg Med Chem Lett 20: 7341-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.065
BindingDB Entry DOI: 10.7270/Q2BV7HWV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419211
PNG
(CHEMBL1834679)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C25H23F2N3O2/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-5-1-2-6-22)25(32)18-10-8-17(9-11-18)23-7-3-4-12-28-23/h3-4,7-15,22H,1-2,5-6,16H2,(H,29,31)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419229
PNG
(CHEMBL1835891)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C26H25F2N3O2/c27-20-14-21(28)16-22(15-20)30-25(32)17-31(23-6-2-1-3-7-23)26(33)19-11-9-18(10-12-19)24-8-4-5-13-29-24/h4-5,8-16,23H,1-3,6-7,17H2,(H,30,32)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419245
PNG
(CHEMBL1834681)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCOC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C25H23F2N3O3/c26-19-12-20(27)14-21(13-19)29-24(31)15-30(22-4-3-11-33-16-22)25(32)18-8-6-17(7-9-18)23-5-1-2-10-28-23/h1-2,5-10,12-14,22H,3-4,11,15-16H2,(H,29,31)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419233
PNG
(CHEMBL1835890)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)N2CCCC2)c1
Show InChI InChI=1S/C25H29F2N3O2/c26-19-14-20(27)16-21(15-19)28-24(31)17-30(23-6-2-1-3-7-23)25(32)18-8-10-22(11-9-18)29-12-4-5-13-29/h8-11,14-16,23H,1-7,12-13,17H2,(H,28,31)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419209
PNG
(CHEMBL1835899)
Show SMILES CC(C)CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C24H23F2N3O2/c1-16(2)14-29(15-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419246
PNG
(CHEMBL1834684)
Show SMILES Fc1cc(F)cc(NC(=O)CN(CC2CCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C25H23F2N3O2/c26-20-12-21(27)14-22(13-20)29-24(31)16-30(15-17-4-3-5-17)25(32)19-9-7-18(8-10-19)23-6-1-2-11-28-23/h1-2,6-14,17H,3-5,15-16H2,(H,29,31)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419230
PNG
(CHEMBL1835889)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(nc2)N2CCCC2)c1
Show InChI InChI=1S/C24H28F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)16-30(21-6-2-1-3-7-21)24(32)17-8-9-22(27-15-17)29-10-4-5-11-29/h8-9,12-15,21H,1-7,10-11,16H2,(H,28,31)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419210
PNG
(CHEMBL1834678)
Show SMILES Fc1cc(F)cc(NC(=O)CN(CC2CC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C24H21F2N3O2/c25-19-11-20(26)13-21(12-19)28-23(30)15-29(14-16-4-5-16)24(31)18-8-6-17(7-9-18)22-3-1-2-10-27-22/h1-3,6-13,16H,4-5,14-15H2,(H,28,30)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419220
PNG
(CHEMBL1835898)
Show SMILES COc1ccc(cc1)C(=O)N(Cc1cc(on1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C24H26N2O3/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)17-20-16-23(29-25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11,17H2,1H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419218
PNG
(CHEMBL1834683)
Show SMILES CCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419228
PNG
(CHEMBL1835879)
Show SMILES COc1ccc(cc1)C(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1
Show InChI InChI=1S/C22H24F2N2O3/c1-29-20-9-7-15(8-10-20)22(28)26(19-5-3-2-4-6-19)14-21(27)25-18-12-16(23)11-17(24)13-18/h7-13,19H,2-6,14H2,1H3,(H,25,27)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419208
PNG
(CHEMBL1835674)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419224
PNG
(CHEMBL1835888)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C24H24F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)15-30(22-4-2-1-3-5-22)24(32)17-6-8-21(9-7-17)29-11-10-27-16-29/h6-14,16,22H,1-5,15H2,(H,28,31)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419216
PNG
(CHEMBL1834686)
Show SMILES COCCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C23H21F2N3O3/c1-31-11-10-28(15-22(29)27-20-13-18(24)12-19(25)14-20)23(30)17-7-5-16(6-8-17)21-4-2-3-9-26-21/h2-9,12-14H,10-11,15H2,1H3,(H,27,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419213
PNG
(CHEMBL1834682)
Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCOCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1
Show InChI InChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50419212
PNG
(CHEMBL1834680)
Show SMILES CC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C23H21F2N3O2/c1-15(2)28(14-22(29)27-20-12-18(24)11-19(25)13-20)23(30)17-8-6-16(7-9-17)21-5-3-4-10-26-21/h3-13,15H,14H2,1-2H3,(H,27,29)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay


Bioorg Med Chem Lett 21: 6176-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.096
BindingDB Entry DOI: 10.7270/Q2251KF6
More data for this
Ligand-Target Pair
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