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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50030483   
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 1


(Homo sapiens (Human))
BDBM50296870
PNG
((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28-,30+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296879
PNG
((4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296884
PNG
((1-((1R,4R)-2,2-dimethyl-4-((R)-1-p-tolylethylamin...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C34H47N3O2/c1-25-12-14-27(15-13-25)26(2)35-29-16-17-30(33(3,4)24-29)31(38)36-22-18-34(19-23-36,28-10-6-5-7-11-28)32(39)37-20-8-9-21-37/h5-7,10-15,26,29-30,35H,8-9,16-24H2,1-4H3/t26-,29-,30+/m1/s1
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10n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296885
PNG
(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H45N3O3/c1-23(24-12-15-27(38-6)16-13-24)33-26-14-17-28(31(2,3)22-26)29(36)35-20-18-32(19-21-35,30(37)34(4)5)25-10-8-7-9-11-25/h7-13,15-16,23,26,28,33H,14,17-22H2,1-6H3/t23-,26-,28+/m1/s1
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15n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296873
PNG
(1'-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-13-16-29(40-4)17-14-26)35-28-15-18-30(33(2,3)24-28)32(39)36-22-19-34(20-23-36,27-10-6-5-7-11-27)37-21-9-8-12-31(37)38/h5-7,10-11,13-14,16-17,25,28,30,35H,8-9,12,15,18-24H2,1-4H3/t25-,28-,30+/m1/s1
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18n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296881
PNG
((1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
Show InChI InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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22n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296877
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H45N3O3/c1-25(26-11-15-30(40-4)16-12-26)37-29-14-17-31(34(2,3)23-29)33(39)38-21-19-35(20-22-38,27-9-7-6-8-10-27)28-13-18-32(41-5)36-24-28/h6-13,15-16,18,24-25,29,31,37H,14,17,19-23H2,1-5H3/t25-,29-,31+/m1/s1
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24n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296883
PNG
((1-((1R,4R)-4-((R)-1-(4-chlorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H44ClN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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27n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296878
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H43N3O2/c1-25(26-12-15-30(39-4)16-13-26)36-29-14-17-31(33(2,3)23-29)32(38)37-21-18-34(19-22-37,27-9-6-5-7-10-27)28-11-8-20-35-24-28/h5-13,15-16,20,24-25,29,31,36H,14,17-19,21-23H2,1-4H3/t25-,29-,31+/m1/s1
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29n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296876
PNG
((4-(6-chloropyridin-3-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H42ClN3O2/c1-24(25-10-14-29(40-4)15-11-25)37-28-13-16-30(33(2,3)22-28)32(39)38-20-18-34(19-21-38,26-8-6-5-7-9-26)27-12-17-31(35)36-23-27/h5-12,14-15,17,23-24,28,30,37H,13,16,18-22H2,1-4H3/t24-,28-,30+/m1/s1
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32n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296872
PNG
(3-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H45N3O4/c1-24(25-11-14-28(39-4)15-12-25)34-27-13-16-29(32(2,3)23-27)30(37)35-20-17-33(18-21-35,26-9-6-5-7-10-26)36-19-8-22-40-31(36)38/h5-7,9-12,14-15,24,27,29,34H,8,13,16-23H2,1-4H3/t24-,27-,29+/m1/s1
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42n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296880
PNG
((1-((1R,4R)-2,2-dimethyl-4-((S)-2,2,2-trifluoro-1-...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F |r|
Show InChI InChI=1S/C34H44F3N3O3/c1-32(2)23-26(38-29(34(35,36)37)24-11-14-27(43-3)15-12-24)13-16-28(32)30(41)39-21-17-33(18-22-39,25-9-5-4-6-10-25)31(42)40-19-7-8-20-40/h4-6,9-12,14-15,26,28-29,38H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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43n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296882
PNG
((1-((1R,4R)-4-((R)-1-(4-fluorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H44FN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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44n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296871
PNG
(1-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H46N4O3/c1-24(25-11-14-28(40-4)15-12-25)35-27-13-16-29(32(2,3)23-27)30(38)36-21-17-33(18-22-36,26-9-6-5-7-10-26)37-20-8-19-34-31(37)39/h5-7,9-12,14-15,24,27,29,35H,8,13,16-23H2,1-4H3,(H,34,39)/t24-,27-,29+/m1/s1
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45n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296875
PNG
(CHEMBL556915 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show InChI InChI=1S/C32H44N2O3/c1-22(24-11-14-28(37-5)15-12-24)33-27-13-16-29(31(3,4)21-27)30(36)25-17-19-32(20-18-25,34-23(2)35)26-9-7-6-8-10-26/h6-12,14-15,22,25,27,29,33H,13,16-21H2,1-5H3,(H,34,35)/t22-,25?,27-,29+,32?/m1/s1
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48n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296874
PNG
(CHEMBL561193 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
Show InChI InChI=1S/C33H46N2O3/c1-23(25-12-15-29(38-6)16-13-25)34-28-14-17-30(32(3,4)22-28)31(37)26-18-20-33(21-19-26,35(5)24(2)36)27-10-8-7-9-11-27/h7-13,15-16,23,26,28,30,34H,14,17-22H2,1-6H3/t23-,26?,28-,30+,33?/m1/s1
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49n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296894
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H42N4O3/c1-22(24-11-14-27(38-5)15-12-24)33-26-13-16-28(31(3,4)21-26)29(37)36-19-17-32(18-20-36,25-9-7-6-8-10-25)30-35-34-23(2)39-30/h6-12,14-15,22,26,28,33H,13,16-21H2,1-5H3/t22-,26-,28+/m1/s1
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120n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296891
PNG
((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H49N3O3/c1-26(27-13-16-30(41-4)17-14-27)36-29-15-18-31(34(2,3)25-29)32(39)37-23-19-35(20-24-37,28-11-7-5-8-12-28)33(40)38-21-9-6-10-22-38/h5,7-8,11-14,16-17,26,29,31,36H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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150n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296888
PNG
((1-((1R,4R)-2,2-dimethyl-4-((R)-1-phenylethylamino...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1 |r|
Show InChI InChI=1S/C33H45N3O2/c1-25(26-12-6-4-7-13-26)34-28-16-17-29(32(2,3)24-28)30(37)35-22-18-33(19-23-35,27-14-8-5-9-15-27)31(38)36-20-10-11-21-36/h4-9,12-15,25,28-29,34H,10-11,16-24H2,1-3H3/t25-,28-,29+/m1/s1
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160n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296886
PNG
((1-((1R,4R)-4-((R)-1-(3-methoxyphenyl)ethylamino)-...)
Show SMILES COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-11-10-14-29(23-26)40-4)35-28-15-16-30(33(2,3)24-28)31(38)36-21-17-34(18-22-36,27-12-6-5-7-13-27)32(39)37-19-8-9-20-37/h5-7,10-14,23,25,28,30,35H,8-9,15-22,24H2,1-4H3/t25-,28-,30+/m1/s1
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210n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296893
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(48.69,-28.06,;47.35,-28.83,;46.02,-28.05,;44.68,-28.82,;43.35,-28.04,;43.37,-26.5,;44.69,-25.74,;46.02,-26.51,;42.04,-25.72,;40.71,-26.49,;42.05,-24.18,;40.72,-23.41,;40.73,-21.86,;39.39,-21.08,;38.06,-21.86,;36.73,-21.09,;35.39,-21.85,;36.73,-19.55,;35.4,-18.78,;35.4,-17.23,;36.73,-16.45,;38.07,-17.23,;38.07,-18.78,;38.05,-15.65,;38.18,-14.12,;39.67,-13.77,;40.47,-15.08,;42.01,-15.21,;39.47,-16.25,;35.38,-15.7,;35.36,-14.16,;34.02,-13.42,;32.69,-14.2,;32.71,-15.74,;34.05,-16.5,;38.06,-23.4,;36.72,-22.62,;37.28,-24.72,;39.38,-24.17,)|
Show InChI InChI=1S/C33H43N3O2S/c1-22(24-11-14-28(38-5)15-12-24)34-27-13-16-29(32(3,4)21-27)30(37)25-17-19-33(20-18-25,26-9-7-6-8-10-26)31-36-35-23(2)39-31/h6-12,14-15,22,25,27,29,34H,13,16-21H2,1-5H3/t22-,25?,27-,29+,33?/m1/s1
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330n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296889
PNG
((1-((1R,4R)-4-(4-methoxybenzylamino)-2,2-dimethylc...)
Show SMILES COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
Show InChI InChI=1S/C33H45N3O3/c1-32(2)23-27(34-24-25-11-14-28(39-3)15-12-25)13-16-29(32)30(37)35-21-17-33(18-22-35,26-9-5-4-6-10-26)31(38)36-19-7-8-20-36/h4-6,9-12,14-15,27,29,34H,7-8,13,16-24H2,1-3H3/t27-,29+/m1/s1
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470n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296887
PNG
((1-((1R,4R)-4-((R)-1-(2-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(28-14-8-9-15-30(28)40-4)35-27-16-17-29(33(2,3)24-27)31(38)36-22-18-34(19-23-36,26-12-6-5-7-13-26)32(39)37-20-10-11-21-37/h5-9,12-15,25,27,29,35H,10-11,16-24H2,1-4H3/t25-,27-,29+/m1/s1
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790n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296895
PNG
((4-(1,3,4-oxadiazol-2-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C31H40N4O3/c1-22(23-10-13-26(37-4)14-11-23)33-25-12-15-27(30(2,3)20-25)28(36)35-18-16-31(17-19-35,29-34-32-21-38-29)24-8-6-5-7-9-24/h5-11,13-14,21-22,25,27,33H,12,15-20H2,1-4H3/t22-,25-,27+/m1/s1
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890n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296890
PNG
((1-((1R,4R)-4-((S)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28+,30-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296892
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H49N3O2/c1-26(27-13-16-30(39-4)17-14-27)35-29-15-18-31(33(2,3)25-29)32(38)36-23-19-34(20-24-36,28-11-7-5-8-12-28)37-21-9-6-10-22-37/h5,7-8,11-14,16-17,26,29,31,35H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296876
PNG
((4-(6-chloropyridin-3-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H42ClN3O2/c1-24(25-10-14-29(40-4)15-11-25)37-28-13-16-30(33(2,3)22-28)32(39)38-20-18-34(19-21-38,26-8-6-5-7-9-26)27-12-17-31(35)36-23-27/h5-12,14-15,17,23-24,28,30,37H,13,16,18-22H2,1-4H3/t24-,28-,30+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296873
PNG
(1'-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-13-16-29(40-4)17-14-26)35-28-15-18-30(33(2,3)24-28)32(39)36-22-19-34(20-23-36,27-10-6-5-7-11-27)37-21-9-8-12-31(37)38/h5-7,10-11,13-14,16-17,25,28,30,35H,8-9,12,15,18-24H2,1-4H3/t25-,28-,30+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296877
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H45N3O3/c1-25(26-11-15-30(40-4)16-12-26)37-29-14-17-31(34(2,3)23-29)33(39)38-21-19-35(20-22-38,27-9-7-6-8-10-27)28-13-18-32(41-5)36-24-28/h6-13,15-16,18,24-25,29,31,37H,14,17,19-23H2,1-5H3/t25-,29-,31+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296874
PNG
(CHEMBL561193 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
Show InChI InChI=1S/C33H46N2O3/c1-23(25-12-15-29(38-6)16-13-25)34-28-14-17-30(32(3,4)22-28)31(37)26-18-20-33(21-19-26,35(5)24(2)36)27-10-8-7-9-11-27/h7-13,15-16,23,26,28,30,34H,14,17-22H2,1-6H3/t23-,26?,28-,30+,33?/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296879
PNG
((4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296870
PNG
((1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28-,30+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296872
PNG
(3-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H45N3O4/c1-24(25-11-14-28(39-4)15-12-25)34-27-13-16-29(32(2,3)23-27)30(37)35-20-17-33(18-21-35,26-9-6-5-7-10-26)36-19-8-22-40-31(36)38/h5-7,9-12,14-15,24,27,29,34H,8,13,16-23H2,1-4H3/t24-,27-,29+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296878
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H43N3O2/c1-25(26-12-15-30(39-4)16-13-26)36-29-14-17-31(33(2,3)23-29)32(38)37-21-18-34(19-22-37,27-9-6-5-7-10-27)28-11-8-20-35-24-28/h5-13,15-16,20,24-25,29,31,36H,14,17-19,21-23H2,1-4H3/t25-,29-,31+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296871
PNG
(1-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C33H46N4O3/c1-24(25-11-14-28(40-4)15-12-25)35-27-13-16-29(32(2,3)23-27)30(38)36-21-17-33(18-22-36,26-9-6-5-7-10-26)37-20-8-19-34-31(37)39/h5-7,9-12,14-15,24,27,29,35H,8,13,16-23H2,1-4H3,(H,34,39)/t24-,27-,29+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296875
PNG
(CHEMBL556915 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show InChI InChI=1S/C32H44N2O3/c1-22(24-11-14-28(37-5)15-12-24)33-27-13-16-29(31(3,4)21-27)30(36)25-17-19-32(20-18-25,34-23(2)35)26-9-7-6-8-10-26/h6-12,14-15,22,25,27,29,33H,13,16-21H2,1-5H3,(H,34,35)/t22-,25?,27-,29+,32?/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296885
PNG
(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H45N3O3/c1-23(24-12-15-27(38-6)16-13-24)33-26-14-17-28(31(2,3)22-26)29(36)35-20-18-32(19-21-35,30(37)34(4)5)25-10-8-7-9-11-25/h7-13,15-16,23,26,28,33H,14,17-22H2,1-6H3/t23-,26-,28+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296883
PNG
((1-((1R,4R)-4-((R)-1-(4-chlorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H44ClN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296884
PNG
((1-((1R,4R)-2,2-dimethyl-4-((R)-1-p-tolylethylamin...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C34H47N3O2/c1-25-12-14-27(15-13-25)26(2)35-29-16-17-30(33(3,4)24-29)31(38)36-22-18-34(19-23-36,28-10-6-5-7-11-28)32(39)37-20-8-9-21-37/h5-7,10-15,26,29-30,35H,8-9,16-24H2,1-4H3/t26-,29-,30+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296882
PNG
((1-((1R,4R)-4-((R)-1-(4-fluorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H44FN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50296881
PNG
((1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
Show InChI InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y1 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296877
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H45N3O3/c1-25(26-11-15-30(40-4)16-12-26)37-29-14-17-31(34(2,3)23-29)33(39)38-21-19-35(20-22-38,27-9-7-6-8-10-27)28-13-18-32(41-5)36-24-28/h6-13,15-16,18,24-25,29,31,37H,14,17,19-23H2,1-5H3/t25-,29-,31+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296879
PNG
((4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296889
PNG
((1-((1R,4R)-4-(4-methoxybenzylamino)-2,2-dimethylc...)
Show SMILES COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
Show InChI InChI=1S/C33H45N3O3/c1-32(2)23-27(34-24-25-11-14-28(39-3)15-12-25)13-16-29(32)30(37)35-21-17-33(18-22-35,26-9-5-4-6-10-26)31(38)36-19-7-8-20-36/h4-6,9-12,14-15,27,29,34H,7-8,13,16-24H2,1-3H3/t27-,29+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296883
PNG
((1-((1R,4R)-4-((R)-1-(4-chlorophenyl)ethylamino)-2...)
Show SMILES C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H44ClN3O2/c1-24(25-11-13-27(34)14-12-25)35-28-15-16-29(32(2,3)23-28)30(38)36-21-17-33(18-22-36,26-9-5-4-6-10-26)31(39)37-19-7-8-20-37/h4-6,9-14,24,28-29,35H,7-8,15-23H2,1-3H3/t24-,28-,29+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50296881
PNG
((1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
Show InChI InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296876
PNG
((4-(6-chloropyridin-3-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H42ClN3O2/c1-24(25-10-14-29(40-4)15-11-25)37-28-13-16-30(33(2,3)22-28)32(39)38-20-18-34(19-21-38,26-8-6-5-7-9-26)27-12-17-31(35)36-23-27/h5-12,14-15,17,23-24,28,30,37H,13,16,18-22H2,1-4H3/t24-,28-,30+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296890
PNG
((1-((1R,4R)-4-((S)-1-(4-methoxyphenyl)ethylamino)-...)
Show SMILES COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H47N3O3/c1-25(26-12-15-29(40-4)16-13-26)35-28-14-17-30(33(2,3)24-28)31(38)36-22-18-34(19-23-36,27-10-6-5-7-11-27)32(39)37-20-8-9-21-37/h5-7,10-13,15-16,25,28,30,35H,8-9,14,17-24H2,1-4H3/t25-,28+,30-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50296881
PNG
((1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
Show InChI InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296892
PNG
(((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H49N3O2/c1-26(27-13-16-30(39-4)17-14-27)35-29-15-18-31(33(2,3)25-29)32(38)36-23-19-34(20-24-36,28-11-7-5-8-12-28)37-21-9-6-10-22-37/h5,7-8,11-14,16-17,26,29,31,35H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair
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