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Compile Data Set for Download or QSAR

Found 1657 hits with Last Name = 'raja' and Initial = 'm'   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023377
PNG
(CHEMBL3329805)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1S/C29H38N4O4S/c1-21(2)20-38(35,36)31-24-10-8-23(9-11-24)19-32-15-12-22(13-16-32)18-30-28(34)27-25-6-3-4-7-26(25)33-14-5-17-37-29(27)33/h3-4,6-11,21-22,31H,5,12-20H2,1-2H3,(H,30,34)
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0.0501n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023365
PNG
(CHEMBL3329814)
Show SMILES OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1/C21H28N2O5/c24-13-16(25)12-22-9-6-15(7-10-22)14-28-21(26)19-17-4-1-2-5-18(17)23-8-3-11-27-20(19)23/h1-2,4-5,15-16,24-25H,3,6-14H2
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0.0794n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023376
PNG
(CHEMBL3329806)
Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2OCCCn2c2ccccc12
Show InChI InChI=1S/C31H40N4O4S/c36-30(29-27-9-4-5-10-28(27)35-17-6-20-39-31(29)35)32-21-23-15-18-34(19-16-23)22-24-11-13-25(14-12-24)33-40(37,38)26-7-2-1-3-8-26/h4-5,9-14,23,26,33H,1-3,6-8,15-22H2,(H,32,36)
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0.200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023375
PNG
(CHEMBL3329807)
Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
Show InChI InChI=1S/C23H29N3O5S/c1-32(28,29)25-19-7-5-18(6-8-19)16-26-11-9-17(10-12-26)15-24-23(27)20-3-2-4-21-22(20)31-14-13-30-21/h2-8,17,25H,9-16H2,1H3,(H,24,27)
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0.200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023379
PNG
(CHEMBL3329803)
Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1S/C26H32N4O4S/c1-35(32,33)28-21-9-7-20(8-10-21)18-29-14-11-19(12-15-29)17-27-25(31)24-22-5-2-3-6-23(22)30-13-4-16-34-26(24)30/h2-3,5-10,19,28H,4,11-18H2,1H3,(H,27,31)
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0.200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023373
PNG
(CHEMBL3329809)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
Show InChI InChI=1S/C26H35N3O5S/c1-19(2)18-35(31,32)28-22-8-6-21(7-9-22)17-29-12-10-20(11-13-29)16-27-26(30)23-4-3-5-24-25(23)34-15-14-33-24/h3-9,19-20,28H,10-18H2,1-2H3,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023374
PNG
(CHEMBL3329808)
Show SMILES CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
Show InChI InChI=1S/C26H35N3O5S/c1-2-3-17-35(31,32)28-22-9-7-21(8-10-22)19-29-13-11-20(12-14-29)18-27-26(30)23-5-4-6-24-25(23)34-16-15-33-24/h4-10,20,28H,2-3,11-19H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379608
PNG
(CHEMBL2013020)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(12.87,-43.9,;11.53,-43.13,;11.53,-41.59,;10.2,-43.89,;10.96,-45.22,;9.43,-45.22,;8.86,-43.13,;7.53,-43.9,;6.2,-43.12,;4.87,-43.89,;3.54,-43.12,;3.54,-41.58,;4.87,-40.8,;6.2,-41.58,;2.2,-40.82,;.87,-41.59,;.88,-43.13,;-.46,-40.82,;-1.8,-41.6,;-1.96,-43.13,;-3.47,-43.45,;-4.24,-42.12,;-5.74,-41.81,;-6.22,-40.35,;-7.73,-40.04,;-5.19,-39.2,;-3.68,-39.52,;-3.21,-40.98,)|
Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8-11,14-15,18,22H,3-4,6-7,12-13H2,1-2H3,(H,23,25)/t15-,18-
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0.300n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353148
PNG
(CHEMBL1829320)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)|
Show InChI InChI=1S/C20H28ClN3O5S/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16-
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0.300n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023366
PNG
(CHEMBL3329813)
Show SMILES CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1/C28H32N2O5/c1-19(27(31)32)22-9-7-20(8-10-22)17-29-14-11-21(12-15-29)18-35-28(33)25-23-5-2-3-6-24(23)30-13-4-16-34-26(25)30/h2-3,5-10,19,21H,4,11-18H2,1H3,(H,31,32)
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0.316n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.398n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379595
PNG
(CHEMBL2013012)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)|
Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18-
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0.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50065428
PNG
(CHEMBL3401350)
Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r|
Show InChI InChI=1/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/s2
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0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of renin (unknown origin)


Bioorg Med Chem Lett 25: 1592-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353151
PNG
(CHEMBL1829323)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.22,-17.24,;8.89,-16.47,;8.89,-14.93,;7.56,-17.23,;6.77,-18.56,;8.31,-18.56,;6.22,-16.46,;4.89,-17.23,;3.56,-16.46,;3.56,-14.92,;2.22,-14.14,;.89,-14.92,;.89,-16.46,;2.22,-17.22,;-.45,-14.14,;-1.77,-14.92,;-1.77,-16.46,;-3.11,-14.15,;-4.44,-14.92,;-4.44,-16.47,;-5.78,-17.23,;-7.11,-16.46,;-7.11,-14.93,;-8.45,-14.16,;-8.45,-12.62,;-9.78,-11.85,;-7.12,-11.85,;-5.78,-12.61,;-5.77,-14.16,)|
Show InChI InChI=1S/C20H30ClN3O3S2/c1-14(2)29(26,27)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-28-19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17-
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0.600n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353154
PNG
(CHEMBL1829326)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)|
Show InChI InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)/t16-,19-
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0.800n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354066
PNG
(CHEMBL1836324)
Show SMILES CCS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
Show InChI InChI=1S/C18H25N3O2S3/c1-2-26(22,23)20-12-7-3-6-11-19-18-21-17-14-8-4-5-9-15(14)24-13-10-16(17)25-18/h4-5,8-9,20H,2-3,6-7,10-13H2,1H3,(H,19,21)
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0.800n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353150
PNG
(CHEMBL1829322)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(33.09,-9.17,;31.76,-8.4,;31.76,-6.86,;30.43,-9.16,;29.65,-10.49,;31.19,-10.49,;29.1,-8.39,;27.76,-9.16,;26.43,-8.39,;26.43,-6.84,;25.09,-6.06,;23.76,-6.84,;23.76,-8.38,;25.09,-9.15,;22.43,-6.07,;21.1,-6.85,;21.1,-8.39,;19.77,-6.08,;18.43,-6.85,;18.43,-8.39,;19.76,-9.16,;17.09,-9.16,;15.76,-8.39,;15.76,-6.86,;14.42,-6.09,;14.43,-4.54,;13.09,-3.78,;15.76,-3.78,;17.09,-4.54,;17.1,-6.09,)|
Show InChI InChI=1S/C20H28ClN3O4S2/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16-
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0.800n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379603
PNG
(CHEMBL2013025)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)c(F)cc12 |r,wU:8.7,wD:11.14,(11.86,-7.35,;10.53,-6.58,;10.53,-5.04,;9.19,-7.34,;9.96,-8.67,;8.42,-8.67,;7.86,-6.58,;6.53,-7.34,;5.19,-6.57,;3.87,-7.34,;2.54,-6.57,;2.54,-5.03,;3.87,-4.25,;5.19,-5.03,;1.2,-4.27,;-.13,-5.04,;-.13,-6.58,;-1.47,-4.27,;-2.8,-5.05,;-2.96,-6.58,;-4.47,-6.9,;-5.24,-5.57,;-6.74,-5.26,;-7.22,-3.8,;-8.73,-3.49,;-6.19,-2.65,;-6.67,-1.18,;-4.69,-2.97,;-4.21,-4.43,)|
Show InChI InChI=1S/C20H27F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-16(6-4-14)24-20(26)12-25-8-7-15-9-17(21)18(22)10-19(15)25/h7-10,13-14,16,23H,3-6,11-12H2,1-2H3,(H,24,26)/t14-,16-
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379606
PNG
(CHEMBL2013022)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cccc(Cl)c12 |r,wU:8.7,wD:11.14,(11.12,-50.13,;9.79,-49.36,;9.79,-47.82,;8.45,-50.12,;9.22,-51.45,;7.68,-51.45,;7.12,-49.35,;5.79,-50.12,;4.45,-49.35,;3.13,-50.11,;1.8,-49.35,;1.8,-47.81,;3.13,-47.03,;4.45,-47.81,;.46,-47.04,;-.87,-47.82,;-.87,-49.36,;-2.21,-47.05,;-3.54,-47.83,;-3.7,-49.35,;-5.21,-49.68,;-5.98,-48.35,;-7.48,-48.03,;-7.96,-46.58,;-6.93,-45.42,;-5.43,-45.74,;-4.4,-44.6,;-4.95,-47.2,)|
Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,17-
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379597
PNG
(CHEMBL2013010)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccc(Cl)cc2sc1=O |r,wU:8.7,wD:11.14,(10.44,-12.14,;9.11,-11.36,;9.11,-9.82,;7.77,-12.13,;8.53,-13.46,;7,-13.45,;6.44,-11.36,;5.1,-12.13,;3.77,-11.36,;2.44,-12.12,;1.11,-11.36,;1.11,-9.82,;2.44,-9.04,;3.77,-9.82,;-.22,-9.05,;-1.56,-9.82,;-1.55,-11.36,;-2.89,-9.06,;-4.22,-9.83,;-5.63,-9.21,;-6.11,-7.75,;-7.62,-7.43,;-8.65,-8.58,;-10.15,-8.27,;-8.16,-10.04,;-6.67,-10.35,;-5.89,-11.69,;-4.39,-11.36,;-3.24,-12.39,)|
Show InChI InChI=1S/C19H26ClN3O4S2/c1-12(2)29(26,27)21-10-13-3-6-15(7-4-13)22-18(24)11-23-16-8-5-14(20)9-17(16)28-19(23)25/h5,8-9,12-13,15,21H,3-4,6-7,10-11H2,1-2H3,(H,22,24)/t13-,15-
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353149
PNG
(CHEMBL1829321)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCOc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.92,-9.69,;9.59,-8.92,;9.6,-7.38,;8.26,-9.68,;7.48,-11.01,;9.02,-11.01,;6.93,-8.91,;5.59,-9.67,;4.26,-8.9,;4.26,-7.36,;2.92,-6.58,;1.6,-7.36,;1.59,-8.9,;2.92,-9.67,;.26,-6.59,;-1.07,-7.37,;-1.06,-8.91,;-2.4,-6.59,;-3.74,-7.37,;-3.74,-8.91,;-5.07,-9.68,;-6.4,-8.91,;-6.4,-7.38,;-7.74,-6.61,;-7.74,-5.06,;-9.08,-4.3,;-6.41,-4.3,;-5.08,-5.05,;-5.07,-6.61,)|
Show InChI InChI=1S/C20H30ClN3O4S/c1-14(2)29(26,27)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-28-19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17-
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353154
PNG
(CHEMBL1829326)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)|
Show InChI InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)/t16-,19-
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354068
PNG
(CHEMBL1836322)
Show SMILES CCS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
Show InChI InChI=1S/C19H26FN3O2S2/c1-2-27(24,25)22-12-5-3-4-11-21-19-23-18-16-13-15(20)10-9-14(16)7-6-8-17(18)26-19/h9-10,13,22H,2-8,11-12H2,1H3,(H,21,23)
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0.900n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353148
PNG
(CHEMBL1829320)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)|
Show InChI InChI=1S/C20H28ClN3O5S/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16-
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1n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379607
PNG
(CHEMBL2013021)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(Cl)cc12 |r,wU:8.7,wD:11.14,(34.5,-46.23,;33.16,-45.46,;33.17,-43.92,;31.83,-46.22,;32.59,-47.55,;31.06,-47.54,;30.5,-45.45,;29.16,-46.22,;27.83,-45.45,;26.5,-46.21,;25.17,-45.45,;25.17,-43.91,;26.5,-43.13,;27.83,-43.91,;23.84,-43.14,;22.5,-43.92,;22.51,-45.46,;21.17,-43.15,;19.84,-43.93,;19.67,-45.45,;18.16,-45.78,;17.39,-44.45,;15.89,-44.13,;15.41,-42.68,;16.44,-41.52,;15.96,-40.06,;17.95,-41.84,;18.42,-43.3,)|
Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18-
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1n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023378
PNG
(CHEMBL3329804)
Show SMILES CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1S/C29H38N4O4S/c1-2-3-19-38(35,36)31-24-11-9-23(10-12-24)21-32-16-13-22(14-17-32)20-30-28(34)27-25-7-4-5-8-26(25)33-15-6-18-37-29(27)33/h4-5,7-12,22,31H,2-3,6,13-21H2,1H3,(H,30,34)
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1n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354079
PNG
(CHEMBL1836329)
Show SMILES COc1cccc2-c3nc(N[C@H]4CC[C@H](CNS(C)(=O)=O)CC4)sc3CCOc12 |r,wU:14.14,wD:11.10,(19.34,4.17,;20.79,3.64,;21.98,4.62,;21.73,6.09,;22.88,7.04,;24.28,6.52,;24.53,5.05,;26.01,4.74,;27.03,5.85,;28.38,5.22,;29.74,5.97,;31.07,5.19,;31.08,3.64,;32.42,2.86,;33.75,3.64,;35.09,2.86,;36.43,3.63,;37.77,2.85,;39.11,3.63,;36.99,1.52,;38.54,1.51,;33.76,5.18,;32.42,5.95,;28.22,3.73,;26.75,3.44,;26.13,1.95,;24.63,1.57,;23.41,2.5,;23.37,4.11,)|
Show InChI InChI=1S/C20H27N3O4S2/c1-26-16-5-3-4-15-18-17(10-11-27-19(15)16)28-20(23-18)22-14-8-6-13(7-9-14)12-21-29(2,24)25/h3-5,13-14,21H,6-12H2,1-2H3,(H,22,23)/t13-,14-
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1.10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354077
PNG
(CHEMBL1836331)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCCc3ccc(F)cc-23)s1 |r,wU:6.5,wD:9.12,(32.91,-10.2,;31.56,-10.97,;30.79,-12.31,;32.33,-12.32,;30.22,-10.2,;28.88,-10.97,;27.54,-10.19,;26.21,-10.96,;24.87,-10.19,;24.87,-8.64,;26.21,-7.88,;27.55,-8.65,;23.53,-7.86,;22.18,-8.61,;20.82,-7.98,;19.81,-9.09,;20.55,-10.39,;19.93,-11.88,;18.42,-12.26,;17.2,-11.32,;17.17,-9.72,;15.78,-9.21,;15.53,-7.74,;16.68,-6.78,;16.42,-5.26,;18.08,-7.31,;18.32,-8.78,;22.02,-10.09,)|
Show InChI InChI=1S/C20H26FN3O2S2/c1-28(25,26)22-12-13-5-9-16(10-6-13)23-20-24-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20/h7-8,11,13,16,22H,2-6,9-10,12H2,1H3,(H,23,24)/t13-,16-
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1.10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379598
PNG
(CHEMBL2013016)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CC(C)(C)c2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.66,-30.81,;10.33,-30.04,;10.33,-28.5,;8.99,-30.8,;9.75,-32.13,;8.22,-32.13,;7.66,-30.03,;6.32,-30.8,;4.99,-30.03,;3.66,-30.79,;2.33,-30.03,;2.33,-28.49,;3.66,-27.71,;4.99,-28.49,;1,-27.72,;-.33,-28.5,;-.33,-30.04,;-1.67,-27.73,;-3,-28.51,;-3.16,-30.03,;-4.67,-30.36,;-4.28,-31.84,;-5.76,-31.44,;-5.44,-29.03,;-6.94,-28.71,;-7.42,-27.26,;-8.93,-26.94,;-6.39,-26.1,;-4.89,-26.42,;-4.41,-27.88,)|
Show InChI InChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27)/t16-,18-
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1.10n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379604
PNG
(CHEMBL2013024)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(F)cc12 |r,wU:8.7,wD:11.14,(36.74,-.05,;35.41,.72,;35.41,2.26,;34.07,-.04,;34.83,-1.37,;33.3,-1.36,;32.74,.73,;31.4,-.04,;30.07,.73,;28.74,-.03,;27.41,.73,;27.41,2.27,;28.74,3.05,;30.07,2.27,;26.08,3.04,;24.74,2.26,;24.75,.72,;23.41,3.03,;22.08,2.26,;21.91,.73,;20.4,.4,;19.63,1.73,;18.13,2.05,;17.65,3.5,;18.68,4.66,;18.2,6.12,;20.19,4.34,;20.66,2.88,)|
Show InChI InChI=1S/C20H28FN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18-
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1.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023372
PNG
(CHEMBL3329810)
Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H37N3O5S/c32-28(25-7-4-8-26-27(25)36-18-17-35-26)29-19-21-13-15-31(16-14-21)20-22-9-11-23(12-10-22)30-37(33,34)24-5-2-1-3-6-24/h4,7-12,21,24,30H,1-3,5-6,13-20H2,(H,29,32)
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1.30n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023368
PNG
(CHEMBL3329812)
Show SMILES OC(=O)C1CCCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
Show InChI InChI=1/C26H34N2O5/c29-25(30)20-6-3-5-19(15-20)16-27-12-9-18(10-13-27)17-33-26(31)23-21-7-1-2-8-22(21)28-11-4-14-32-24(23)28/h1-2,7-8,18-20H,3-6,9-17H2,(H,29,30)
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1.30n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023367
PNG
(CHEMBL3329811)
Show SMILES OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
Show InChI InChI=1/C25H32N2O5/c28-24(29)19-7-6-18(14-19)15-26-11-8-17(9-12-26)16-32-25(30)22-20-4-1-2-5-21(20)27-10-3-13-31-23(22)27/h1-2,4-5,17-19H,3,6-16H2,(H,28,29)
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1.30n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354083
PNG
(CHEMBL1836102 | N-{[(1r,4r)-4-{[(4-aminoquinazolin...)
Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)|
Show InChI InChI=1S/C26H29N5O2S/c27-25-23-7-3-4-8-24(23)30-26(31-25)28-16-18-9-11-19(12-10-18)17-29-34(32,33)22-14-13-20-5-1-2-6-21(20)15-22/h1-8,13-15,18-19,29H,9-12,16-17H2,(H3,27,28,30,31)/t18-,19-
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1.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to NPY5 receptor


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50354072
PNG
(CHEMBL1836317)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
Show InChI InChI=1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)/t13-,14-
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1.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat NPY5 receptor


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354070
PNG
(CHEMBL1836319)
Show SMILES CS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
Show InChI InChI=1S/C18H24FN3O2S2/c1-26(23,24)21-11-4-2-3-10-20-18-22-17-15-12-14(19)9-8-13(15)6-5-7-16(17)25-18/h8-9,12,21H,2-7,10-11H2,1H3,(H,20,22)
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1.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379610
PNG
(CHEMBL2013018)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccccc12 |r,wU:8.7,wD:11.14,(10.13,-37.49,;8.79,-36.71,;8.8,-35.17,;7.46,-37.48,;8.22,-38.81,;6.69,-38.8,;6.13,-36.71,;4.79,-37.48,;3.46,-36.71,;2.13,-37.47,;.8,-36.71,;.8,-35.17,;2.13,-34.39,;3.46,-35.17,;-.53,-34.4,;-1.87,-35.17,;-1.86,-36.71,;-3.2,-34.41,;-4.53,-35.18,;-4.7,-36.71,;-6.21,-37.03,;-6.98,-35.7,;-8.48,-35.39,;-8.96,-33.93,;-7.93,-32.78,;-6.42,-33.1,;-5.95,-34.56,)|
Show InChI InChI=1S/C20H29N3O3S/c1-15(2)27(25,26)21-13-16-7-9-18(10-8-16)22-20(24)14-23-12-11-17-5-3-4-6-19(17)23/h3-6,11-12,15-16,18,21H,7-10,13-14H2,1-2H3,(H,22,24)/t16-,18-
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1.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354072
PNG
(CHEMBL1836317)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
Show InChI InChI=1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)/t13-,14-
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1.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379592
PNG
(CHEMBL2013015)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2c1ccc(F)c2F |r,wU:8.7,wD:11.14,(33.84,-25.97,;32.5,-25.2,;32.51,-23.66,;31.17,-25.96,;31.93,-27.29,;30.4,-27.29,;29.84,-25.2,;28.5,-25.97,;27.17,-25.19,;25.84,-25.96,;24.51,-25.19,;24.51,-23.65,;25.84,-22.88,;27.17,-23.65,;23.17,-22.89,;21.84,-23.66,;21.85,-25.2,;20.51,-22.9,;19.17,-23.67,;19.01,-25.2,;17.51,-25.52,;16.73,-24.19,;17.76,-23.05,;17.29,-21.59,;15.78,-21.27,;14.75,-22.42,;13.24,-22.11,;15.23,-23.88,;14.21,-25.03,)|
Show InChI InChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26)/t14-,15-
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1.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023369
PNG
(CHEMBL3329226)
Show SMILES OC(=O)C1C2C3CC1C(CN1CCC(COC(=O)c4c5OCCCn5c5ccccc45)CC1)C23 |TLB:9:8:5.6:4.3,THB:1:3:8:5.6|
Show InChI InChI=1/C27H32N2O5/c30-26(31)23-17-12-18-21(22(18)23)19(17)13-28-9-6-15(7-10-28)14-34-27(32)24-16-4-1-2-5-20(16)29-8-3-11-33-25(24)29/h1-2,4-5,15,17-19,21-23H,3,6-14H2,(H,30,31)
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1.60n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379609
PNG
(CHEMBL2013019)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2c(Cl)cccc12 |r,wU:8.7,wD:11.14,(32.57,-39.12,;31.23,-38.34,;31.24,-36.8,;29.9,-39.11,;30.66,-40.44,;29.13,-40.43,;28.57,-38.34,;27.23,-39.11,;25.9,-38.34,;24.57,-39.1,;23.24,-38.34,;23.24,-36.8,;24.57,-36.02,;25.9,-36.8,;21.9,-36.03,;20.57,-36.8,;20.58,-38.34,;19.24,-36.04,;17.91,-36.81,;17.74,-38.34,;16.23,-38.66,;15.46,-37.33,;13.96,-37.02,;12.94,-38.17,;13.48,-35.56,;14.51,-34.41,;16.02,-34.73,;16.49,-36.19,)|
Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-16(9-7-15)23-20(25)13-24-11-10-17-18(21)4-3-5-19(17)24/h3-5,10-11,14-16,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,16-
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1.70n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354078
PNG
(CHEMBL1836330)
Show SMILES CS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccc(F)cc-23)s1
Show InChI InChI=1S/C17H22FN3O2S3/c1-26(22,23)20-9-4-2-3-8-19-17-21-16-13-11-12(18)5-6-14(13)24-10-7-15(16)25-17/h5-6,11,20H,2-4,7-10H2,1H3,(H,19,21)
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1.70n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(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 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379591
PNG
(CHEMBL2013017)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCc2ccccc12 |r,wU:8.7,wD:11.14,(33.54,-33.77,;32.21,-33,;32.21,-31.46,;30.87,-33.76,;31.64,-35.09,;30.1,-35.08,;29.54,-32.99,;28.21,-33.76,;26.87,-32.99,;25.54,-33.75,;24.21,-32.99,;24.21,-31.45,;25.54,-30.67,;26.87,-31.45,;22.88,-30.68,;21.55,-31.46,;21.55,-33,;20.21,-30.69,;18.88,-31.46,;17.54,-30.69,;16.18,-31.4,;15.07,-30.32,;15.76,-28.95,;15.19,-27.53,;16.14,-26.32,;17.67,-26.54,;18.23,-27.97,;17.28,-29.17,)|
Show InChI InChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25)/t17-,19-
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1.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50353152
PNG
(CHEMBL1829324)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCS(=O)(=O)c2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(34.58,-17.57,;33.25,-16.8,;33.25,-15.26,;31.92,-17.56,;31.13,-18.89,;32.67,-18.89,;30.58,-16.79,;29.25,-17.56,;27.91,-16.79,;27.92,-15.25,;26.58,-14.47,;25.25,-15.25,;25.25,-16.79,;26.58,-17.55,;23.92,-14.47,;22.59,-15.25,;22.59,-16.79,;21.25,-14.48,;19.92,-15.25,;19.92,-16.8,;18.58,-17.56,;17.25,-16.79,;15.76,-16.38,;16.48,-18.12,;17.25,-15.26,;15.91,-14.49,;15.92,-12.95,;14.58,-12.18,;17.25,-12.18,;18.58,-12.94,;18.59,-14.49,)|
Show InChI InChI=1S/C20H30ClN3O5S2/c1-14(2)31(28,29)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-30(26,27)19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17-
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1.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting


Bioorg Med Chem Lett 21: 5573-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.078
BindingDB Entry DOI: 10.7270/Q2TQ61X3
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(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 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354073
PNG
(CHEMBL1836316)
Show SMILES O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccs1 |r,wU:5.4,wD:8.11,(42.05,-18.71,;40.51,-18.69,;41.3,-17.37,;39.18,-17.9,;39.2,-16.36,;37.88,-15.57,;36.53,-16.33,;35.21,-15.54,;35.23,-14,;36.57,-13.24,;37.9,-14.03,;33.9,-13.22,;32.56,-13.98,;31.2,-13.36,;30.19,-14.46,;30.93,-15.76,;30.31,-17.24,;28.81,-17.62,;27.6,-16.69,;27.56,-15.09,;26.18,-14.58,;25.93,-13.12,;27.07,-12.17,;28.47,-12.69,;28.71,-14.15,;32.39,-15.46,;40.49,-20.23,;41.73,-21.16,;41.24,-22.62,;39.69,-22.6,;39.24,-21.12,)|
Show InChI InChI=1S/C22H25N3O2S4/c26-31(27,20-6-3-12-29-20)23-14-15-7-9-16(10-8-15)24-22-25-21-17-4-1-2-5-18(17)28-13-11-19(21)30-22/h1-6,12,15-16,23H,7-11,13-14H2,(H,24,25)/t15-,16-
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 5436-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.124
BindingDB Entry DOI: 10.7270/Q2RN387K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50379601
PNG
(CHEMBL2013029)
Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1cn(C)c2ccccc12 |r,wU:8.7,wD:11.14,(35.85,-22.75,;34.52,-21.98,;34.52,-20.44,;33.18,-22.74,;33.95,-24.07,;32.41,-24.07,;31.85,-21.98,;30.52,-22.75,;29.18,-21.97,;27.85,-22.74,;26.52,-21.97,;26.52,-20.43,;27.85,-19.66,;29.18,-20.43,;25.19,-19.67,;23.86,-20.44,;23.86,-21.98,;22.52,-19.68,;21.19,-20.45,;21.03,-21.98,;19.52,-22.3,;18.89,-23.71,;18.75,-20.97,;17.25,-20.66,;16.77,-19.2,;17.8,-18.05,;19.3,-18.37,;19.78,-19.83,)|
Show InChI InChI=1S/C21H31N3O3S/c1-15(2)28(26,27)22-13-16-8-10-18(11-9-16)23-21(25)12-17-14-24(3)20-7-5-4-6-19(17)20/h4-7,14-16,18,22H,8-13H2,1-3H3,(H,23,25)/t16-,18-
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2n/an/an/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor


Bioorg Med Chem Lett 22: 2167-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50065395
PNG
(CHEMBL3401345)
Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)N2CC(CC2=O)c2cccc(Cl)c2)C(=N)N1 |r|
Show InChI InChI=1/C25H29ClN4O2/c1-16(2)25(3)13-23(32)30(24(27)28-25)14-17-6-4-9-21(10-17)29-15-19(12-22(29)31)18-7-5-8-20(26)11-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28)/t19?,25-/s2
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of renin (unknown origin)


Bioorg Med Chem Lett 25: 1592-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ
More data for this
Ligand-Target Pair
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