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PubMed code 15546711

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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))		BDBM50156313
PNG
(4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O6/c1-20-27(30(38)42-4)29(28(21(2)35-20)31(39)43-5)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)41-3/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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 1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity towards Neuropeptide Y receptor type 1

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156311
PNG
(CHEMBL187620 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC)=NC#N)c1 |w:41.44,c:13,t:10|
Show InChI InChI=1S/C33H41N7O5/c1-21-28(31(41)44-4)30(29(22(2)38-21)32(42)45-5)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)43-3/h6-12,19,24,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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 3.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity towards Neuropeptide Y receptor type 1

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156319
PNG
(2,6-Dimethyl-4-(3-{3-[2-(1-phenyl-piperidin-4-ylam...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2)c1 |c:13,t:10|
Show InChI InChI=1S/C31H39N5O5/c1-20-26(29(37)40-3)28(27(21(2)34-20)30(38)41-4)22-9-8-10-24(19-22)35-31(39)33-16-15-32-23-13-17-36(18-14-23)25-11-6-5-7-12-25/h5-12,19,23,26,28,32H,13-18H2,1-4H3,(H2,33,35,39)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156313
PNG
(4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O6/c1-20-27(30(38)42-4)29(28(21(2)35-20)31(39)43-5)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)41-3/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156328
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-nitro-phenyl)-piperi...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)c1)C(=[OH+])OC |c:4,9|
Show InChI InChI=1S/C31H38N6O7/c1-19-26(29(38)43-3)28(27(20(2)34-19)30(39)44-4)21-8-7-9-23(18-21)35-31(40)33-15-14-32-22-12-16-36(17-13-22)24-10-5-6-11-25(24)37(41)42/h5-11,18,22,28,32H,12-17H2,1-4H3,(H3,33,34,35,38,39,40)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156323
PNG
(CHEMBL189412 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C#N)=NC#N)c1 |w:41.44,c:13,t:10|
Show InChI InChI=1S/C33H38N8O4/c1-21-28(31(42)44-3)30(29(22(2)39-21)32(43)45-4)23-9-7-10-26(18-23)40-33(38-20-35)37-15-14-36-25-12-16-41(17-13-25)27-11-6-5-8-24(27)19-34/h5-11,18,25,28,30,36H,12-17H2,1-4H3,(H2,37,38,40)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156317
PNG
(CHEMBL187925 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2SC)=NC#N)c1 |w:41.44,c:13,t:10|
Show InChI InChI=1S/C33H41N7O4S/c1-21-28(31(41)43-3)30(29(22(2)38-21)32(42)44-4)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)45-5/h6-12,19,24,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156326
PNG
(4-[3-(3-{2-[1-(2-Cyano-phenyl)-piperidin-4-ylamino...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C#N)c1 |c:13,t:10|
Show InChI InChI=1S/C32H38N6O5/c1-20-27(30(39)42-3)29(28(21(2)36-20)31(40)43-4)22-9-7-10-25(18-22)37-32(41)35-15-14-34-24-12-16-38(17-13-24)26-11-6-5-8-23(26)19-33/h5-11,18,24,27,29,34H,12-17H2,1-4H3,(H2,35,37,41)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156311
PNG
(CHEMBL187620 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC)=NC#N)c1 |w:41.44,c:13,t:10|
Show InChI InChI=1S/C33H41N7O5/c1-21-28(31(41)44-4)30(29(22(2)38-21)32(42)45-5)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)43-3/h6-12,19,24,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156318
PNG
(CHEMBL361273 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C)=NC#N)c1 |w:40.43,c:13,t:10|
Show InChI InChI=1S/C33H41N7O4/c1-21-9-6-7-12-27(21)40-17-13-25(14-18-40)35-15-16-36-33(37-20-34)39-26-11-8-10-24(19-26)30-28(31(41)43-4)22(2)38-23(3)29(30)32(42)44-5/h6-12,19,25,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156331
PNG
(2,6-Dimethyl-4-(3-{3-[2-(1-o-tolyl-piperidin-4-yla...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O5/c1-20-9-6-7-12-26(20)37-17-13-24(14-18-37)33-15-16-34-32(40)36-25-11-8-10-23(19-25)29-27(30(38)41-4)21(2)35-22(3)28(29)31(39)42-5/h6-12,19,24,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156316
PNG
(CHEMBL188576 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC([N-]CCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)=[NH+]C#N)c1)C(=[OH+])OC |w:38.41,c:4,9|
Show InChI InChI=1S/C32H37N8O6/c1-20-27(30(41)45-3)29(28(21(2)37-20)31(42)46-4)22-8-7-9-24(18-22)38-32(36-19-33)35-15-14-34-23-12-16-39(17-13-23)25-10-5-6-11-26(25)40(43)44/h5-11,18,23,29,34H,12-17H2,1-4H3,(H2-,35,36,37,38,41,42)/q-1/p+1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156314
PNG
(CHEMBL364380 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2O)=NC#N)c1 |w:40.43,c:13,t:10|
Show InChI InChI=1S/C32H39N7O5/c1-20-27(30(41)43-3)29(28(21(2)37-20)31(42)44-4)22-8-7-9-24(18-22)38-32(36-19-33)35-15-14-34-23-12-16-39(17-13-23)25-10-5-6-11-26(25)40/h5-11,18,23,27,29,34,40H,12-17H2,1-4H3,(H2,35,36,38)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156322
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-methylsulfanyl-pheny...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2SC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O5S/c1-20-27(30(38)41-3)29(28(21(2)35-20)31(39)42-4)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)43-5/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156312
PNG
(4-[3-(3-{2-[1-(2-Hydroxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2O)c1 |c:13,t:10|
Show InChI InChI=1S/C31H39N5O6/c1-19-26(29(38)41-3)28(27(20(2)34-19)30(39)42-4)21-8-7-9-23(18-21)35-31(40)33-15-14-32-22-12-16-36(17-13-22)24-10-5-6-11-25(24)37/h5-11,18,22,26,28,32,37H,12-17H2,1-4H3,(H2,33,35,40)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156315
PNG
(4-[3-(3-{2-[1-(3-Chloro-phenyl)-piperidin-4-ylamin...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2cccc(Cl)c2)c1 |c:13,t:10|
Show InChI InChI=1S/C31H38ClN5O5/c1-19-26(29(38)41-3)28(27(20(2)35-19)30(39)42-4)21-7-5-9-24(17-21)36-31(40)34-14-13-33-23-11-15-37(16-12-23)25-10-6-8-22(32)18-25/h5-10,17-18,23,26,28,33H,11-16H2,1-4H3,(H2,34,36,40)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156321
PNG
(CHEMBL187490 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2cccc(Cl)c2)=NC#N)c1 |w:40.43,c:13,t:10|
Show InChI InChI=1S/C32H38ClN7O4/c1-20-27(30(41)43-3)29(28(21(2)38-20)31(42)44-4)22-7-5-9-25(17-22)39-32(37-19-34)36-14-13-35-24-11-15-40(16-12-24)26-10-6-8-23(33)18-26/h5-10,17-18,24,27,29,35H,11-16H2,1-4H3,(H2,36,37,39)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156325
PNG
(CHEMBL188790 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
Show InChI InChI=1S/C32H39N7O4/c1-21-27(30(40)42-3)29(28(22(2)37-21)31(41)43-4)23-9-8-10-25(19-23)38-32(36-20-33)35-16-15-34-24-13-17-39(18-14-24)26-11-6-5-7-12-26/h5-12,19,24,27,29,34H,13-18H2,1-4H3,(H2,35,36,38)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
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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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156327
PNG
(CHEMBL189036 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)=NC#N)c1 |w:43.46,c:13,t:10|
Show InChI InChI=1S/C33H38F3N7O4/c1-20-27(30(44)46-3)29(28(21(2)41-20)31(45)47-4)22-8-7-9-24(18-22)42-32(40-19-37)39-15-14-38-23-12-16-43(17-13-23)26-11-6-5-10-25(26)33(34,35)36/h5-11,18,23,27,29,38H,12-17H2,1-4H3,(H2,39,40,42)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156324
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-trifluoromethoxy-phe...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)c1 |c:13,t:10|
Show InChI InChI=1S/C32H38F3N5O6/c1-19-26(29(41)44-3)28(27(20(2)38-19)30(42)45-4)21-8-7-9-23(18-21)39-31(43)37-15-14-36-22-12-16-40(17-13-22)24-10-5-6-11-25(24)46-32(33,34)35/h5-11,18,22,26,28,36H,12-17H2,1-4H3,(H2,37,39,43)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156329
PNG
(CHEMBL187782 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)=NC#N)c1 |w:44.47,c:13,t:10|
Show InChI InChI=1S/C33H38F3N7O5/c1-20-27(30(44)46-3)29(28(21(2)41-20)31(45)47-4)22-8-7-9-24(18-22)42-32(40-19-37)39-15-14-38-23-12-16-43(17-13-23)25-10-5-6-11-26(25)48-33(34,35)36/h5-11,18,23,27,29,38H,12-17H2,1-4H3,(H2,39,40,42)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156320
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-trifluoromethyl-phen...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)c1 |c:13,t:10|
Show InChI InChI=1S/C32H38F3N5O5/c1-19-26(29(41)44-3)28(27(20(2)38-19)30(42)45-4)21-8-7-9-23(18-21)39-31(43)37-15-14-36-22-12-16-40(17-13-22)25-11-6-5-10-24(25)32(33,34)35/h5-11,18,22,26,28,36H,12-17H2,1-4H3,(H2,37,39,43)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50156330
PNG
(BMS-245782 | CHEMBL189548 | N-arylpiperazine deriv...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCN(CC2)c2cccc(OC)c2)=NC#N)c1 |w:41.44,c:13,t:10|
Show InChI InChI=1S/C33H41N7O5/c1-22-28(31(41)44-4)30(29(23(2)37-22)32(42)45-5)24-9-6-10-25(19-24)38-33(36-21-34)35-13-8-14-39-15-17-40(18-16-39)26-11-7-12-27(20-26)43-3/h6-7,9-12,19-20,28,30H,8,13-18H2,1-5H3,(H2,35,36,38)
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors

Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%