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PubMed code 14611849

Compile data set for download or QSAR
Found 16 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 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135647
PNG
(CHEMBL328861 | N-(2-Benzylsulfanyl-phenyl)-N-(3-di...)
Show SMILES CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2OS/c1-22(24-15-8-5-9-16-24)27(30)29(20-12-19-28(2)3)25-17-10-11-18-26(25)31-21-23-13-6-4-7-14-23/h4-11,13-18,22H,12,19-21H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135642
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2OS2/c1-28(2)17-10-18-29(27(30)26-19-22-13-6-8-15-24(22)32-26)23-14-7-9-16-25(23)31-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135638
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-butyl-pheny...)
Show SMILES CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C24H30N2OS/c1-4-5-11-19-12-6-8-14-21(19)26(17-10-16-25(2)3)24(27)23-18-20-13-7-9-15-22(20)28-23/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135646
PNG
((1R,2R)-2-Phenyl-cyclopropanecarboxylic acid (2-be...)
Show SMILES CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C28H32N2OS/c1-29(2)18-11-19-30(28(31)25-20-24(25)23-14-7-4-8-15-23)26-16-9-10-17-27(26)32-21-22-12-5-3-6-13-22/h3-10,12-17,24-25H,11,18-21H2,1-2H3/t24-,25+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135648
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CNCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C26H26N2OS2/c1-27-16-9-17-28(26(29)25-18-21-12-5-7-14-23(21)31-25)22-13-6-8-15-24(22)30-19-20-10-3-2-4-11-20/h2-8,10-15,18,27H,9,16-17,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135641
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzyl-phen...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C27H28N2OS/c1-28(2)17-10-18-29(27(30)26-20-23-14-7-9-16-25(23)31-26)24-15-8-6-13-22(24)19-21-11-4-3-5-12-21/h3-9,11-16,20H,10,17-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135644
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzoylamin...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O2S/c1-29(2)17-10-18-30(27(32)25-19-21-13-6-9-16-24(21)33-25)23-15-8-7-14-22(23)28-26(31)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135649
PNG
(Benzo[b]thiophene-2-carboxylic acid (3-dimethylami...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C28H30N2OS/c1-29(2)19-10-20-30(28(31)27-21-24-14-7-9-16-26(24)32-27)25-15-8-6-13-23(25)18-17-22-11-4-3-5-12-22/h3-9,11-16,21H,10,17-20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135643
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C26H26N2OS2/c1-27(2)16-17-28(26(29)25-18-21-12-6-8-14-23(21)31-25)22-13-7-9-15-24(22)30-19-20-10-4-3-5-11-20/h3-15,18H,16-17,19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135645
PNG
((E)-N-(2-Benzylsulfanyl-phenyl)-N-(3-dimethylamino...)
Show SMILES CN(C)CCCN(C(=O)\C=C\c1ccccc1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H30N2OS/c1-28(2)20-11-21-29(27(30)19-18-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31-22-24-14-7-4-8-15-24/h3-10,12-19H,11,20-22H2,1-2H3/b19-18+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135651
PNG
(Benzo[b]thiophene-2-carboxylic acid biphenyl-2-yl-...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H26N2OS/c1-27(2)17-10-18-28(26(29)25-19-21-13-6-9-16-24(21)30-25)23-15-8-7-14-22(23)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135640
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-be...)
Show SMILES CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135639
PNG
(Benzofuran-2-carboxylic acid (2-benzylsulfanyl-phe...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2O2S/c1-28(2)17-10-18-29(27(30)25-19-22-13-6-8-15-24(22)31-25)23-14-7-9-16-26(23)32-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50135650
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfa...)
Show SMILES CN(C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C28H30N2OS2/c1-29(2)18-10-11-19-30(28(31)27-20-23-14-6-8-16-25(23)33-27)24-15-7-9-17-26(24)32-21-22-12-4-3-5-13-22/h3-9,12-17,20H,10-11,18-19,21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand

Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%