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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'wolinski' and Initial = 'tc'   
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 5


(Homo sapiens (Human))
BDBM50355854
PNG
(CHEMBL1909727)
Show SMILES CCN(CC)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
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1.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355840
PNG
(CHEMBL1912082)
Show SMILES COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C21H26N4O3S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25)
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355849
PNG
(CHEMBL1909722)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
Show InChI InChI=1S/C19H27N3O2S3/c1-14(2)27(23,24)21-12-7-3-6-11-20-19-22-18-15-8-4-5-9-16(15)25-13-10-17(18)26-19/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3,(H,20,22)
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2n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355844
PNG
(CHEMBL1912087)
Show SMILES Cc1nc(C)c(s1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C18H23N5O2S3/c1-13-17(27-14(2)22-13)28(24,25)21-11-6-3-5-10-20-18-23-16(12-26-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,23)
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3.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355847
PNG
(CHEMBL1909720)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccsc1
Show InChI InChI=1S/C15H23N3O2S3/c1-12(2)23(19,20)17-8-5-3-4-7-16-15-18-14(11-22-15)13-6-9-21-10-13/h6,9-12,17H,3-5,7-8H2,1-2H3,(H,16,18)
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3.70n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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5.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat NPY Y5 receptor


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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7.60n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355839
PNG
(CHEMBL1912081)
Show SMILES Fc1ccccc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C19H21FN4O2S2/c20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16/h2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24)
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8n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355832
PNG
(CHEMBL1912068)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C16H24N4O2S2/c1-13(2)24(21,22)19-11-6-3-5-10-18-16-20-15(12-23-16)14-8-4-7-9-17-14/h4,7-9,12-13,19H,3,5-6,10-11H2,1-2H3,(H,18,20)
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12n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355859
PNG
(CHEMBL1912086)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C18H23N5O3S2/c1-13-17(14(2)26-23-13)28(24,25)21-11-6-3-5-10-20-18-22-16(12-27-18)15-8-4-7-9-19-15/h4,7-9,12,21H,3,5-6,10-11H2,1-2H3,(H,20,22)
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19n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355841
PNG
(CHEMBL1912083)
Show SMILES O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)c1cccs1
Show InChI InChI=1S/C17H20N4O2S3/c22-26(23,16-8-6-12-24-16)20-11-4-1-3-10-19-17-21-15(13-25-17)14-7-2-5-9-18-14/h2,5-9,12-13,20H,1,3-4,10-11H2,(H,19,21)
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31n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355848
PNG
(CHEMBL1909721)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1sc(C)nc1C
Show InChI InChI=1S/C16H26N4O2S3/c1-11(2)25(21,22)18-9-7-5-6-8-17-16-20-14(10-23-16)15-12(3)19-13(4)24-15/h10-11,18H,5-9H2,1-4H3,(H,17,20)
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34n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355855
PNG
(CHEMBL1909728)
Show SMILES O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C17H25N5O3S2/c23-27(24,22-10-12-25-13-11-22)20-9-4-1-3-8-19-17-21-16(14-26-17)15-6-2-5-7-18-15/h2,5-7,14,20H,1,3-4,8-13H2,(H,19,21)
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38n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355833
PNG
(CHEMBL1912071)
Show SMILES O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C16H22N4O2S2/c21-24(22,13-7-8-13)19-11-4-1-3-10-18-16-20-15(12-23-16)14-6-2-5-9-17-14/h2,5-6,9,12-13,19H,1,3-4,7-8,10-11H2,(H,18,20)
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45n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355834
PNG
(CHEMBL1912072)
Show SMILES CCC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C17H26N4O2S2/c1-3-14(2)25(22,23)20-12-7-4-6-11-19-17-21-16(13-24-17)15-9-5-8-10-18-15/h5,8-10,13-14,20H,3-4,6-7,11-12H2,1-2H3,(H,19,21)
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49n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355858
PNG
(CHEMBL1909731)
Show SMILES COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C19H31N5O4S2/c1-27-14-12-24(13-15-28-2)30(25,26)22-11-6-3-5-10-21-19-23-18(16-29-19)17-8-4-7-9-20-17/h4,7-9,16,22H,3,5-6,10-15H2,1-2H3,(H,21,23)
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60n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355856
PNG
(CHEMBL1909729)
Show SMILES CC1CN(CC(C)O1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C19H29N5O3S2/c1-15-12-24(13-16(2)27-15)29(25,26)22-11-6-3-5-10-21-19-23-18(14-28-19)17-8-4-7-9-20-17/h4,7-9,14-16,22H,3,5-6,10-13H2,1-2H3,(H,21,23)
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75n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355825
PNG
(CHEMBL1912074)
Show SMILES CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccsc1
Show InChI InChI=1S/C13H19N3O2S3/c1-21(17,18)15-7-4-2-3-6-14-13-16-12(10-20-13)11-5-8-19-9-11/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,16)
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80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355830
PNG
(CHEMBL1912067)
Show SMILES FC(F)(F)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H17F3N4O2S2/c15-14(16,17)25(22,23)20-9-4-1-3-8-19-13-21-12(10-24-13)11-6-2-5-7-18-11/h2,5-7,10,20H,1,3-4,8-9H2,(H,19,21)
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109n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355836
PNG
(CHEMBL1912078)
Show SMILES O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C19H28N4O2S2/c24-27(25,16-9-3-1-4-10-16)22-14-7-2-6-13-21-19-23-18(15-26-19)17-11-5-8-12-20-17/h5,8,11-12,15-16,22H,1-4,6-7,9-10,13-14H2,(H,21,23)
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110n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355826
PNG
(CHEMBL1912075)
Show SMILES Cc1nc(C)c(s1)-c1csc(NCCCCCNS(C)(=O)=O)n1
Show InChI InChI=1S/C14H22N4O2S3/c1-10-13(22-11(2)17-10)12-9-21-14(18-12)15-7-5-4-6-8-16-23(3,19)20/h9,16H,4-8H2,1-3H3,(H,15,18)
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150n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355831
PNG
(CHEMBL1912065)
Show SMILES CCS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H22N4O2S2/c1-2-23(20,21)18-11-6-3-5-10-17-15-19-14(12-22-15)13-8-4-7-9-16-13/h4,7-9,12,18H,2-3,5-6,10-11H2,1H3,(H,17,19)
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150n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355843
PNG
(CHEMBL1912085)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C19H26N6O2S2/c1-14-18(15(2)25(3)24-14)29(26,27)22-12-7-4-6-11-21-19-23-17(13-28-19)16-9-5-8-10-20-16/h5,8-10,13,22H,4,6-7,11-12H2,1-3H3,(H,21,23)
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159n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355857
PNG
(CHEMBL1909730)
Show SMILES CN1CCN(CC1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C18H28N6O2S2/c1-23-11-13-24(14-12-23)28(25,26)21-10-5-2-4-9-20-18-22-17(15-27-18)16-7-3-6-8-19-16/h3,6-8,15,21H,2,4-5,9-14H2,1H3,(H,20,22)
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170n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355824
PNG
(CHEMBL1912070)
Show SMILES CS(=O)(=O)NCCCCCNc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C13H19N3O2S3/c1-21(17,18)15-8-4-2-3-7-14-13-16-11(10-20-13)12-6-5-9-19-12/h5-6,9-10,15H,2-4,7-8H2,1H3,(H,14,16)
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170n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355838
PNG
(CHEMBL1912080)
Show SMILES O=C(OCc1ccccc1)N1CCC(CC1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C26H33N5O4S2/c32-26(35-19-21-9-3-1-4-10-21)31-17-12-22(13-18-31)37(33,34)29-16-7-2-6-15-28-25-30-24(20-36-25)23-11-5-8-14-27-23/h1,3-5,8-11,14,20,22,29H,2,6-7,12-13,15-19H2,(H,28,30)
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240n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355835
PNG
(CHEMBL1912073)
Show SMILES O=S(=O)(CC1CCCC1)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C19H28N4O2S2/c24-27(25,15-16-8-2-3-9-16)22-13-6-1-5-12-21-19-23-18(14-26-19)17-10-4-7-11-20-17/h4,7,10-11,14,16,22H,1-3,5-6,8-9,12-13,15H2,(H,21,23)
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250n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355850
PNG
(CHEMBL1909723)
Show SMILES CC(C)S(=O)(=O)NCCOCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H22N4O3S2/c1-12(2)24(20,21)18-8-10-22-9-7-17-15-19-14(11-23-15)13-5-3-4-6-16-13/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19)
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290n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355828
PNG
(CHEMBL1912077)
Show SMILES Cc1c(sc2ccc(Cl)cc12)-c1csc(NCCCCCNS(C)(=O)=O)n1
Show InChI InChI=1S/C18H22ClN3O2S3/c1-12-14-10-13(19)6-7-16(14)26-17(12)15-11-25-18(22-15)20-8-4-3-5-9-21-27(2,23)24/h6-7,10-11,21H,3-5,8-9H2,1-2H3,(H,20,22)
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360n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355845
PNG
(CHEMBL1909718)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C16H24N4O2S2/c1-13(2)24(21,22)19-10-5-3-4-9-18-16-20-15(12-23-16)14-7-6-8-17-11-14/h6-8,11-13,19H,3-5,9-10H2,1-2H3,(H,18,20)
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515n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355823
PNG
(CHEMBL1912069)
Show SMILES CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H20N4O2S2/c1-22(19,20)17-10-5-2-4-9-16-14-18-13(11-21-14)12-7-3-6-8-15-12/h3,6-8,11,17H,2,4-5,9-10H2,1H3,(H,16,18)
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530n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355829
PNG
(CHEMBL1912066)
Show SMILES CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccn(c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H24N4O4S3/c1-29(24,25)21-12-7-3-6-11-20-19-22-18(15-28-19)16-10-13-23(14-16)30(26,27)17-8-4-2-5-9-17/h2,4-5,8-10,13-15,21H,3,6-7,11-12H2,1H3,(H,20,22)
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740n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355853
PNG
(CHEMBL1909726)
Show SMILES NS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H19N5O2S2/c14-22(19,20)17-9-4-1-3-8-16-13-18-12(10-21-13)11-6-2-5-7-15-11/h2,5-7,10,17H,1,3-4,8-9H2,(H,16,18)(H2,14,19,20)
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803n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355842
PNG
(CHEMBL1912084)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C17H22N6O2S2/c1-23-11-16(20-13-23)27(24,25)21-10-5-2-4-9-19-17-22-15(12-26-17)14-7-3-6-8-18-14/h3,6-8,11-13,21H,2,4-5,9-10H2,1H3,(H,19,22)
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1.12E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355846
PNG
(CHEMBL1909719)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1nccnc1C
Show InChI InChI=1S/C16H25N5O2S2/c1-12(2)25(22,23)20-8-6-4-5-7-19-16-21-14(11-24-16)15-13(3)17-9-10-18-15/h9-12,20H,4-8H2,1-3H3,(H,19,21)
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1.85E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355837
PNG
(CHEMBL1912079)
Show SMILES O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CCNCC1
Show InChI InChI=1S/C18H27N5O2S2/c24-27(25,15-7-12-19-13-8-15)22-11-4-1-3-10-21-18-23-17(14-26-18)16-6-2-5-9-20-16/h2,5-6,9,14-15,19,22H,1,3-4,7-8,10-13H2,(H,21,23)
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2.70E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355827
PNG
(CHEMBL1912076)
Show SMILES CS(=O)(=O)NCCCCCNc1nc(cs1)-c1nccs1
Show InChI InChI=1S/C12H18N4O2S3/c1-21(17,18)15-6-4-2-3-5-14-12-16-10(9-20-12)11-13-7-8-19-11/h7-9,15H,2-6H2,1H3,(H,14,16)
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4.30E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355851
PNG
(CHEMBL1909724)
Show SMILES CC(C)S(=O)(=O)N1CCN(CCNc2nc(cs2)-c2ccccn2)CC1
Show InChI InChI=1S/C17H25N5O2S2/c1-14(2)26(23,24)22-11-9-21(10-12-22)8-7-19-17-20-16(13-25-17)15-5-3-4-6-18-15/h3-6,13-14H,7-12H2,1-2H3,(H,19,20)
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5.00E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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n/an/a 950n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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n/an/a>7.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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n/an/a>7.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
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n/an/a>7.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50355852
PNG
(CHEMBL1909725)
Show SMILES CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C15H23N5O2S2/c1-20(2)24(21,22)18-11-6-3-5-10-17-15-19-14(12-23-15)13-8-4-7-9-16-13/h4,7-9,12,18H,3,5-6,10-11H2,1-2H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair