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PubMed code 20630754

Compile data set for download or QSAR
Found 33 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 5


(Homo sapiens (Human))
BDBM50416448
PNG
(CHEMBL1209159)
Show SMILES CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
Show InChI InChI=1S/C23H24N4OS/c1-15(16-7-3-2-4-8-16)22(28)27-12-18-17(19(18)13-27)11-25-23-26-21(14-29-23)20-9-5-6-10-24-20/h2-10,14-15,17-19H,11-13H2,1H3,(H,25,26)/t15?,17-,18+,19-
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416445
PNG
(CHEMBL1209162)
Show SMILES O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C23H24N4OS/c28-22(10-9-16-6-2-1-3-7-16)27-13-18-17(19(18)14-27)12-25-23-26-21(15-29-23)20-8-4-5-11-24-20/h1-8,11,15,17-19H,9-10,12-14H2,(H,25,26)/t17-,18+,19-
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416460
PNG
(CHEMBL1209345)
Show SMILES Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1 |r|
Show InChI InChI=1S/C21H20F2N4S/c22-14-5-13(6-15(23)7-14)9-27-10-17-16(18(17)11-27)8-25-21-26-20(12-28-21)19-3-1-2-4-24-19/h1-7,12,16-18H,8-11H2,(H,25,26)/t16-,17+,18-
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416443
PNG
(CHEMBL1209216)
Show SMILES O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C24H24N4OS/c29-23(17-10-16(17)15-6-2-1-3-7-15)28-12-19-18(20(19)13-28)11-26-24-27-22(14-30-24)21-8-4-5-9-25-21/h1-9,14,16-20H,10-13H2,(H,26,27)/t16-,17+,18-,19+,20-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416447
PNG
(CHEMBL1209160)
Show SMILES O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)C1(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4OS/c29-22(24(9-10-24)16-6-2-1-3-7-16)28-13-18-17(19(18)14-28)12-26-23-27-21(15-30-23)20-8-4-5-11-25-20/h1-8,11,15,17-19H,9-10,12-14H2,(H,26,27)/t17-,18+,19-
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416454
PNG
(CHEMBL1209052)
Show SMILES Fc1cccc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C21H19FN4OS/c22-14-5-3-4-13(8-14)20(27)26-10-16-15(17(16)11-26)9-24-21-25-19(12-28-21)18-6-1-2-7-23-18/h1-8,12,15-17H,9-11H2,(H,24,25)/t15-,16+,17-
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416450
PNG
(CHEMBL1209101)
Show SMILES O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C22H22N4OS/c27-21(10-15-6-2-1-3-7-15)26-12-17-16(18(17)13-26)11-24-22-25-20(14-28-22)19-8-4-5-9-23-19/h1-9,14,16-18H,10-13H2,(H,24,25)/t16-,17-,18+
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416449
PNG
(CHEMBL1209102)
Show SMILES O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C22H22N4OS/c27-21(10-15-6-2-1-3-7-15)26-12-17-16(18(17)13-26)11-24-22-25-20(14-28-22)19-8-4-5-9-23-19/h1-9,14,16-18H,10-13H2,(H,24,25)/t16-,17+,18-
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416436
PNG
(CHEMBL1209346)
Show SMILES CC(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
Show InChI InChI=1S/C22H24N4S/c1-15(16-7-3-2-4-8-16)26-12-18-17(19(18)13-26)11-24-22-25-21(14-27-22)20-9-5-6-10-23-20/h2-10,14-15,17-19H,11-13H2,1H3,(H,24,25)/t15?,17-,18+,19-
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416453
PNG
(CHEMBL1209053)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C21H18F2N4OS/c22-13-5-12(6-14(23)7-13)20(28)27-9-16-15(17(16)10-27)8-25-21-26-19(11-29-21)18-3-1-2-4-24-18/h1-7,11,15-17H,8-10H2,(H,25,26)/t15-,16+,17-
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416438
PNG
(CHEMBL1209280)
Show SMILES C(Nc1nc(cs1)-c1ccccn1)[C@@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12 |r|
Show InChI InChI=1S/C21H22N4S/c1-2-6-15(7-3-1)11-25-12-17-16(18(17)13-25)10-23-21-24-20(14-26-21)19-8-4-5-9-22-19/h1-9,14,16-18H,10-13H2,(H,23,24)/t16-,17+,18-
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416455
PNG
(CHEMBL1209051)
Show SMILES O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N4OS/c26-20(14-6-2-1-3-7-14)25-11-16-15(17(16)12-25)10-23-21-24-19(13-27-21)18-8-4-5-9-22-18/h1-9,13,15-17H,10-12H2,(H,23,24)/t15-,16+,17-
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416457
PNG
(CHEMBL1209049)
Show SMILES CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C18H22N4OS/c1-11(2)17(23)22-8-13-12(14(13)9-22)7-20-18-21-16(10-24-18)15-5-3-4-6-19-15/h3-6,10-14H,7-9H2,1-2H3,(H,20,21)/t12-,13+,14-
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416437
PNG
(CHEMBL1209281)
Show SMILES Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1 |r|
Show InChI InChI=1S/C23H26N4S/c1-15-7-16(2)9-17(8-15)11-27-12-19-18(20(19)13-27)10-25-23-26-22(14-28-23)21-5-3-4-6-24-21/h3-9,14,18-20H,10-13H2,1-2H3,(H,25,26)/t18-,19+,20-
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416439
PNG
(CHEMBL1209279)
Show SMILES CC(C)CN1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C18H24N4S/c1-12(2)8-22-9-14-13(15(14)10-22)7-20-18-21-17(11-23-18)16-5-3-4-6-19-16/h3-6,11-15H,7-10H2,1-2H3,(H,20,21)/t13-,14+,15-
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416452
PNG
(CHEMBL1209100)
Show SMILES O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1cccnc1 |r|
Show InChI InChI=1S/C20H19N5OS/c26-19(13-4-3-6-21-8-13)25-10-15-14(16(15)11-25)9-23-20-24-18(12-27-20)17-5-1-2-7-22-17/h1-8,12,14-16H,9-11H2,(H,23,24)/t14-,15+,16-
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416442
PNG
(CHEMBL1209218)
Show SMILES O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(17-5-3-7-25-17)23-9-13-12(14(13)10-23)8-21-19-22-16(11-26-19)15-4-1-2-6-20-15/h1-2,4,6,11-14,17H,3,5,7-10H2,(H,21,22)/t12-,13+,14-,17?
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416444
PNG
(CHEMBL1209215)
Show SMILES CC(C(C)c1ccccc1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C25H28N4OS/c1-16(18-8-4-3-5-9-18)17(2)24(30)29-13-20-19(21(20)14-29)12-27-25-28-23(15-31-25)22-10-6-7-11-26-22/h3-11,15-17,19-21H,12-14H2,1-2H3,(H,27,28)/t16?,17?,19-,20+,21-
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416446
PNG
(CHEMBL1209161)
Show SMILES O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C23H24N4OS/c28-22(10-9-16-6-2-1-3-7-16)27-13-18-17(19(18)14-27)12-25-23-26-21(15-29-23)20-8-4-5-11-24-20/h1-8,11,15,17-19H,9-10,12-14H2,(H,25,26)/t17-,18-,19+
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416456
PNG
(CHEMBL1209050)
Show SMILES O=C(N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
Show InChI InChI=1S/C21H20N4OS/c26-20(14-6-2-1-3-7-14)25-11-16-15(17(16)12-25)10-23-21-24-19(13-27-21)18-8-4-5-9-22-18/h1-9,13,15-17H,10-12H2,(H,23,24)/t15-,16-,17+
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416459
PNG
(CHEMBL1209347)
Show SMILES FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-13(9-22-14)12-3-1-2-8-19-12/h1-9H,(H,20,21)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416441
PNG
(CHEMBL1209277)
Show SMILES O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C20H24N4O2S/c25-19(13-4-7-26-8-5-13)24-10-15-14(16(15)11-24)9-22-20-23-18(12-27-20)17-3-1-2-6-21-17/h1-3,6,12-16H,4-5,7-11H2,(H,22,23)/t14-,15+,16-
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416451
PNG
(CHEMBL1208795)
Show SMILES O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccncc1 |r|
Show InChI InChI=1S/C20H19N5OS/c26-19(13-4-7-21-8-5-13)25-10-15-14(16(15)11-25)9-23-20-24-18(12-27-20)17-3-1-2-6-22-17/h1-8,12,14-16H,9-11H2,(H,23,24)/t14-,15+,16-
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416440
PNG
(CHEMBL1209278)
Show SMILES C(Nc1nc(cs1)-c1ccccn1)[C@H]1[C@@H]2CNC[C@H]12 |r|
Show InChI InChI=1S/C14H16N4S/c1-2-4-16-12(3-1)13-8-19-14(18-13)17-7-11-9-5-15-6-10(9)11/h1-4,8-11,15H,5-7H2,(H,17,18)/t9-,10+,11+
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50416458
PNG
(CHEMBL1208996)
Show SMILES CC(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C16H18N4OS/c1-10(21)20-7-12-11(13(12)8-20)6-18-16-19-15(9-22-16)14-4-2-3-5-17-14/h2-5,9,11-13H,6-8H2,1H3,(H,18,19)/t11-,12+,13-
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50416459
PNG
(CHEMBL1209347)
Show SMILES FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-13(9-22-14)12-3-1-2-8-19-12/h1-9H,(H,20,21)
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>3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y1 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50416459
PNG
(CHEMBL1209347)
Show SMILES FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10F3N3S/c16-15(17,18)10-4-6-11(7-5-10)20-14-21-13(9-22-14)12-3-1-2-8-19-12/h1-9H,(H,20,21)
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>3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY Y2 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50323463
PNG
(CHEMBL1209217 | endo-(6-((4-(pyridin-2-yl)thiazol-...)
Show SMILES O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
Show InChI InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13-,14+,15-
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 20: 4741-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.140
BindingDB Entry DOI: 10.7270/Q2JS9QMP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%