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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50011672   
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))
BDBM50109179
PNG
(4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(O)c2)c1 |c:13,t:10|
Show InChI InChI=1S/C32H40N4O6/c1-20-27(30(38)41-3)29(28(21(2)34-20)31(39)42-4)24-9-5-10-25(18-24)35-32(40)33-14-7-15-36-16-12-22(13-17-36)23-8-6-11-26(37)19-23/h5-6,8-11,18-19,22,27,29,37H,7,12-17H2,1-4H3,(H2,33,35,40)
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2.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109122
PNG
(4-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,28,30H,8,13-18H2,1-5H3,(H2,34,36,40)
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3.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109188
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)24-10-8-11-25(20-24)36-33(40)34-16-9-17-37-18-14-23(15-19-37)26-12-6-7-13-27(26)41-3/h6-8,10-13,20,23,28,30H,9,14-19H2,1-5H3,(H2,34,36,40)
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4.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109182
PNG
(4-(3-{3-[3-(4-Cyclohexyl-piperidin-1-yl)-propyl]-u...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)C2CCCCC2)c1 |c:13,t:10|
Show InChI InChI=1S/C32H46N4O5/c1-21-27(30(37)40-3)29(28(22(2)34-21)31(38)41-4)25-12-8-13-26(20-25)35-32(39)33-16-9-17-36-18-14-24(15-19-36)23-10-6-5-7-11-23/h8,12-13,20,23-24,27,29H,5-7,9-11,14-19H2,1-4H3,(H2,33,35,39)
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9.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109186
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperidin-1-yl)-...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1 |c:13,t:10|
Show InChI InChI=1S/C32H40N4O5/c1-21-27(30(37)40-3)29(28(22(2)34-21)31(38)41-4)25-12-8-13-26(20-25)35-32(39)33-16-9-17-36-18-14-24(15-19-36)23-10-6-5-7-11-23/h5-8,10-13,20,24,27,29H,9,14-19H2,1-4H3,(H2,33,35,39)
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10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109185
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O6/c1-21-27(30(38)42-4)29(28(22(2)34-21)31(39)43-5)23-10-8-11-24(20-23)35-32(40)33-14-9-15-36-16-18-37(19-17-36)25-12-6-7-13-26(25)41-3/h6-8,10-13,20,27,29H,9,14-19H2,1-5H3,(H2,33,35,40)
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109194
PNG
(4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2cccc(O)c2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C32H41N5O6/c1-5-43-31(40)28-22(3)34-21(2)27(30(39)42-4)29(28)23-9-6-10-24(19-23)35-32(41)33-13-8-14-36-15-17-37(18-16-36)25-11-7-12-26(38)20-25/h6-7,9-12,19-20,27,29,38H,5,8,13-18H2,1-4H3,(H2,33,35,41)
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37n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109173
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperazin-1-yl)-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C32H41N5O5/c1-5-42-31(39)28-23(3)34-22(2)27(30(38)41-4)29(28)24-11-9-12-25(21-24)35-32(40)33-15-10-16-36-17-19-37(20-18-36)26-13-7-6-8-14-26/h6-9,11-14,21,27,29H,5,10,15-20H2,1-4H3,(H2,33,35,40)
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66n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109193
PNG
(4-(3-{3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-ureid...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1 |c:13,t:10|
Show InChI InChI=1S/C33H42N4O5/c1-22-28(31(38)41-3)30(29(23(2)35-22)32(39)42-4)26-12-8-13-27(21-26)36-33(40)34-16-9-17-37-18-14-25(15-19-37)20-24-10-6-5-7-11-24/h5-8,10-13,21,25,28,30H,9,14-20H2,1-4H3,(H2,34,36,40)
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84n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109178
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperidin-1-yl)-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C33H42N4O5/c1-5-42-32(39)29-23(3)35-22(2)28(31(38)41-4)30(29)26-13-9-14-27(21-26)36-33(40)34-17-10-18-37-19-15-25(16-20-37)24-11-7-6-8-12-24/h6-9,11-14,21,25,28,30H,5,10,15-20H2,1-4H3,(H2,34,36,40)
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89n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109183
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-o-tolyl-piperazin-1-yl)...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2C)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C33H43N5O5/c1-6-43-32(40)29-24(4)35-23(3)28(31(39)42-5)30(29)25-12-9-13-26(21-25)36-33(41)34-15-10-16-37-17-19-38(20-18-37)27-14-8-7-11-22(27)2/h7-9,11-14,21,28,30H,6,10,15-20H2,1-5H3,(H2,34,36,41)
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96n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109192
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C33H43N5O6/c1-6-44-32(40)29-23(3)35-22(2)28(31(39)43-5)30(29)24-11-9-12-25(21-24)36-33(41)34-15-10-16-37-17-19-38(20-18-37)26-13-7-8-14-27(26)42-4/h7-9,11-14,21,28,30H,6,10,15-20H2,1-5H3,(H2,34,36,41)
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105n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109180
PNG
(4-[3-(3-{3-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2O)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C32H41N5O6/c1-5-43-31(40)28-22(3)34-21(2)27(30(39)42-4)29(28)23-10-8-11-24(20-23)35-32(41)33-14-9-15-36-16-18-37(19-17-36)25-12-6-7-13-26(25)38/h6-8,10-13,20,27,29,38H,5,9,14-19H2,1-4H3,(H2,33,35,41)
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108n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109181
PNG
(4-(3-{3-[3-(4-Biphenyl-3-yl-piperidin-1-yl)-propyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(c2)-c2ccccc2)c1 |c:13,t:10|
Show InChI InChI=1S/C38H44N4O5/c1-25-33(36(43)46-3)35(34(26(2)40-25)37(44)47-4)31-15-9-16-32(24-31)41-38(45)39-19-10-20-42-21-17-28(18-22-42)30-14-8-13-29(23-30)27-11-6-5-7-12-27/h5-9,11-16,23-24,28,33,35H,10,17-22H2,1-4H3,(H2,39,41,45)
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188n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109190
PNG
(4-[3-(3-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-pr...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C32H40ClN5O5/c1-5-43-31(40)28-22(3)35-21(2)27(30(39)42-4)29(28)23-8-6-9-25(20-23)36-32(41)34-14-7-15-37-16-18-38(19-17-37)26-12-10-24(33)11-13-26/h6,8-13,20,27,29H,5,7,14-19H2,1-4H3,(H2,34,36,41)
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322n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109177
PNG
(4-[3-(3-{3-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(OC)cc2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C33H43N5O6/c1-6-44-32(40)29-23(3)35-22(2)28(31(39)43-5)30(29)24-9-7-10-25(21-24)36-33(41)34-15-8-16-37-17-19-38(20-18-37)26-11-13-27(42-4)14-12-26/h7,9-14,21,28,30H,6,8,15-20H2,1-5H3,(H2,34,36,41)
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405n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109184
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-p-tolyl-piperazin-1-yl)...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(C)cc2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C33H43N5O5/c1-6-43-32(40)29-24(4)35-23(3)28(31(39)42-5)30(29)25-9-7-10-26(21-25)36-33(41)34-15-8-16-37-17-19-38(20-18-37)27-13-11-22(2)12-14-27/h7,9-14,21,28,30H,6,8,15-20H2,1-5H3,(H2,34,36,41)
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503n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109176
PNG
(2,6-Dimethyl-4-{3-[3-(3-piperidin-1-yl-propyl)-ure...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCCCC2)c1 |c:13,t:10|
Show InChI InChI=1S/C26H36N4O5/c1-17-21(24(31)34-3)23(22(18(2)28-17)25(32)35-4)19-10-8-11-20(16-19)29-26(33)27-12-9-15-30-13-6-5-7-14-30/h8,10-11,16,21,23H,5-7,9,12-15H2,1-4H3,(H2,27,29,33)
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523n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109189
PNG
(4-[3-(3-{3-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C32H39Cl2N5O5/c1-5-44-31(41)28-21(3)36-20(2)27(30(40)43-4)29(28)22-8-6-9-23(18-22)37-32(42)35-12-7-13-38-14-16-39(17-15-38)24-10-11-25(33)26(34)19-24/h6,8-11,18-19,27,29H,5,7,12-17H2,1-4H3,(H2,35,37,42)
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677n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109191
PNG
(5-Cyano-4-[3-(3-{3-[4-(2-methoxy-phenyl)-piperazin...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:4,t:7|
Show InChI InChI=1S/C31H38N6O4/c1-21-25(20-32)29(28(22(2)34-21)30(38)41-4)23-9-7-10-24(19-23)35-31(39)33-13-8-14-36-15-17-37(18-16-36)26-11-5-6-12-27(26)40-3/h5-7,9-12,19,25,29H,8,13-18H2,1-4H3,(H2,33,35,39)
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684n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109175
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:7,t:10|
Show InChI InChI=1S/C35H47N5O6/c1-6-7-22-46-34(42)31-25(3)37-24(2)30(33(41)45-5)32(31)26-12-10-13-27(23-26)38-35(43)36-16-11-17-39-18-20-40(21-19-39)28-14-8-9-15-29(28)44-4/h8-10,12-15,23,30,32H,6-7,11,16-22H2,1-5H3,(H2,36,38,43)
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995n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109174
PNG
(2,6-Dimethyl-4-{3-[3-(3-piperazin-1-yl-propyl)-ure...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCNCC2)c1 |c:13,t:10|
Show InChI InChI=1S/C25H35N5O5/c1-16-20(23(31)34-3)22(21(17(2)28-16)24(32)35-4)18-7-5-8-19(15-18)29-25(33)27-9-6-12-30-13-10-26-11-14-30/h5,7-8,15,20,22,26H,6,9-14H2,1-4H3,(H2,27,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109187
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:16,t:13|
Show InChI InChI=1S/C35H47N5O6/c1-23-29(32(41)45-7)31(30(24(2)37-23)33(42)46-35(3,4)5)25-12-10-13-26(22-25)38-34(43)36-16-11-17-39-18-20-40(21-19-39)27-14-8-9-15-28(27)44-6/h8-10,12-15,22,29,31H,11,16-21H2,1-7H3,(H2,36,38,43)
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1.16E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair