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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'burns' and Initial = 'jf'   
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 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449332
PNG
(CHEMBL3126041)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCCC2=O)nc1 |r,wU:15.15,18.22,(18.54,-26.36,;19.31,-25.02,;18.54,-23.7,;19.31,-22.36,;18.54,-21.02,;20.85,-22.36,;21.62,-23.7,;20.85,-25.02,;23.16,-23.7,;23.93,-22.36,;25.47,-22.36,;26.24,-23.7,;27.78,-23.7,;28.55,-25.02,;27.78,-26.36,;30.1,-25.02,;30.87,-26.36,;32.41,-26.36,;33.18,-25.02,;32.41,-23.7,;30.87,-23.7,;34.72,-25.02,;35.49,-23.7,;37.03,-23.7,;37.8,-25.02,;37.03,-26.36,;35.49,-26.36,;34.72,-27.7,;25.47,-25.02,;23.93,-25.02,)|
Show InChI InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)/t15-,20+
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2n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449331
PNG
(CHEMBL3126043)
Show SMILES C[C@@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,1.0,4.3,(23.3,-26.17,;22.05,-27.08,;20.58,-26.6,;19.68,-27.85,;18.14,-27.85,;17.37,-29.19,;15.83,-29.19,;15.06,-27.85,;15.83,-26.51,;17.37,-26.51,;13.52,-27.85,;12.75,-26.51,;12.75,-29.19,;11.21,-29.19,;10.44,-27.85,;8.9,-27.85,;8.13,-29.19,;8.9,-30.51,;10.44,-30.51,;6.59,-29.19,;5.82,-27.85,;4.28,-27.85,;3.51,-26.51,;3.51,-29.19,;4.28,-30.51,;3.51,-31.85,;5.82,-30.51,;20.58,-29.09,;20.11,-30.57,;22.05,-28.62,)|
Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m1/s1
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3n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449330
PNG
(CHEMBL3126045)
Show SMILES CC(C)(C)C1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:10.13,7.6,(33.32,-25.01,;31.91,-24.38,;31.75,-22.85,;33.24,-23.6,;30.67,-25.29,;29.2,-24.81,;28.29,-26.06,;26.75,-26.06,;25.98,-27.38,;24.44,-27.38,;23.67,-26.06,;24.44,-24.72,;25.98,-24.72,;22.13,-26.06,;21.36,-24.72,;21.36,-27.38,;19.82,-27.38,;19.05,-28.72,;17.51,-28.72,;16.74,-27.38,;17.51,-26.06,;19.05,-26.06,;15.2,-27.38,;14.43,-26.06,;12.89,-26.06,;12.12,-24.72,;12.12,-27.38,;12.89,-28.72,;12.12,-30.06,;14.43,-28.72,;29.2,-27.3,;28.72,-28.76,;30.67,-26.83,)|
Show InChI InChI=1S/C25H29F2N3O3/c1-25(2,3)21-14-30(24(32)33-21)20-7-4-15(5-8-20)23(31)29-22-9-6-16(13-28-22)17-10-18(26)12-19(27)11-17/h6,9-13,15,20-21H,4-5,7-8,14H2,1-3H3,(H,28,29,31)/t15-,20+,21?
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4n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449329
PNG
(CHEMBL3126046)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCNC2=O)nc1 |r,wU:15.15,18.22,(13.81,-25.74,;14.58,-27.07,;13.81,-28.41,;14.58,-29.74,;13.81,-31.07,;16.12,-29.74,;16.89,-28.41,;16.12,-27.07,;18.43,-28.41,;19.2,-29.74,;20.74,-29.74,;21.51,-28.41,;23.05,-28.41,;23.82,-27.07,;23.05,-25.74,;25.36,-27.07,;26.13,-28.41,;27.67,-28.41,;28.44,-27.07,;27.67,-25.74,;26.13,-25.74,;29.98,-27.07,;30.88,-28.32,;32.35,-27.84,;32.35,-26.3,;30.88,-25.82,;30.41,-24.37,;20.74,-27.07,;19.2,-27.07,)|
Show InChI InChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28)/t13-,18+
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5n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449328
PNG
(CHEMBL3126047)
Show SMILES CN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:8.11,5.4,(36.9,-26.87,;35.62,-27.72,;35.55,-29.25,;34.07,-29.66,;33.22,-28.38,;31.68,-28.31,;30.86,-29.61,;29.32,-29.55,;28.61,-28.18,;29.44,-26.88,;30.97,-26.95,;27.07,-28.11,;26.36,-26.74,;26.25,-29.41,;24.71,-29.34,;23.88,-30.64,;22.35,-30.57,;21.64,-29.21,;22.47,-27.91,;24,-27.97,;20.1,-29.14,;19.39,-27.77,;17.86,-27.7,;17.15,-26.34,;17.03,-29,;17.74,-30.37,;16.91,-31.66,;19.27,-30.44,;34.18,-27.18,;33.76,-25.7,)|
Show InChI InChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29)/t14-,19+
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5n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449327
PNG
(CHEMBL3126039)
Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:15.15,18.22,(18.08,-29.04,;18.85,-27.7,;18.08,-26.37,;18.85,-25.03,;18.08,-23.7,;20.39,-25.03,;21.16,-26.37,;20.39,-27.7,;22.7,-26.37,;23.47,-25.03,;25.01,-25.03,;25.78,-26.37,;27.32,-26.37,;28.09,-27.7,;27.39,-29.08,;29.63,-27.62,;30.46,-28.91,;32,-28.84,;32.7,-27.46,;31.87,-26.17,;30.32,-26.25,;34.24,-27.38,;35.09,-26.08,;36.57,-26.49,;36.65,-28.02,;35.21,-28.58,;34.81,-30.07,;25.01,-27.7,;23.47,-27.7,)|
Show InChI InChI=1S/C21H22F2N4O2/c22-16-8-14(9-17(23)10-16)15-11-24-21(25-12-15)26-20(29)13-3-5-18(6-4-13)27-7-1-2-19(27)28/h8-13,18H,1-7H2,(H,24,25,26,29)/t13-,18+
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5n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449326
PNG
(CHEMBL3126040)
Show SMILES Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)cn1 |r,wU:15.15,18.22,(14.68,-24.91,;15.45,-23.57,;14.68,-22.24,;15.45,-20.91,;14.68,-19.58,;16.99,-20.91,;17.76,-22.24,;16.99,-23.57,;19.3,-22.24,;20.08,-23.57,;21.62,-23.57,;22.39,-22.24,;23.93,-22.24,;24.7,-23.57,;24,-24.95,;26.24,-23.5,;27.07,-24.79,;28.61,-24.71,;29.31,-23.33,;28.48,-22.04,;26.93,-22.13,;30.85,-23.26,;31.69,-21.96,;33.18,-22.36,;33.26,-23.9,;31.82,-24.46,;31.42,-25.94,;21.62,-20.91,;20.08,-20.91,)|
Show InChI InChI=1S/C21H22F2N4O2/c22-15-8-14(9-16(23)10-15)18-11-25-19(12-24-18)26-21(29)13-3-5-17(6-4-13)27-7-1-2-20(27)28/h8-13,17H,1-7H2,(H,25,26,29)/t13-,17+
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6n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449325
PNG
(CHEMBL3126044)
Show SMILES C[C@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,4.3,wD:1.0,(24.06,-26.45,;22.81,-27.35,;21.34,-26.87,;20.44,-28.12,;18.9,-28.12,;18.13,-29.45,;16.59,-29.45,;15.82,-28.12,;16.59,-26.79,;18.13,-26.79,;14.28,-28.12,;13.51,-26.79,;13.51,-29.45,;11.97,-29.45,;11.2,-28.12,;9.66,-28.12,;8.89,-29.45,;9.66,-30.79,;11.2,-30.79,;7.35,-29.45,;6.58,-28.12,;5.04,-28.12,;4.27,-26.79,;4.27,-29.45,;5.04,-30.79,;4.27,-32.12,;6.58,-30.79,;21.34,-29.37,;20.87,-30.83,;22.81,-28.89,)|
Show InChI InChI=1S/C22H23F2N3O3/c1-13-12-27(22(29)30-13)19-5-2-14(3-6-19)21(28)26-20-7-4-15(11-25-20)16-8-17(23)10-18(24)9-16/h4,7-11,13-14,19H,2-3,5-6,12H2,1H3,(H,25,26,28)/t13-,14-,19+/m0/s1
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7n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449323
PNG
(CHEMBL3126053)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,15.15,(5.33,-14.93,;6.16,-13.64,;5.46,-12.27,;6.29,-10.97,;5.58,-9.6,;7.83,-11.04,;8.53,-12.41,;7.7,-13.71,;10.07,-12.49,;10.78,-13.86,;12.32,-13.93,;13.15,-12.63,;14.69,-12.71,;15.52,-11.41,;14.88,-10,;17.05,-11.56,;17.68,-12.97,;19.22,-13.12,;20.12,-11.88,;19.48,-10.46,;17.95,-10.32,;21.65,-12.02,;22.42,-13.36,;23.92,-13.03,;24.08,-11.5,;22.67,-10.88,;22.34,-9.37,;12.45,-11.26,;10.91,-11.19,)|
Show InChI InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)/t14-,19+
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8n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449324
PNG
(CHEMBL3126042)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCOC2=O)nc1 |r,wU:15.15,18.22,(16.56,-26.33,;17.33,-24.99,;16.56,-23.66,;17.33,-22.33,;16.56,-21,;18.87,-22.33,;19.64,-23.66,;18.87,-24.99,;21.18,-23.66,;21.95,-22.33,;23.49,-22.33,;24.26,-23.66,;25.8,-23.66,;26.57,-24.99,;25.8,-26.33,;28.11,-24.99,;28.88,-26.33,;30.42,-26.33,;31.19,-24.99,;30.42,-23.66,;28.88,-23.66,;32.73,-24.99,;33.63,-26.24,;35.1,-25.76,;35.1,-24.22,;33.63,-23.75,;33.15,-22.29,;23.49,-24.99,;21.95,-24.99,)|
Show InChI InChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)/t13-,18+
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8n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449322
PNG
(CHEMBL3126048)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCNC2=O)nc1 |r,wU:15.15,18.22,(20.67,-38.97,;21.44,-40.29,;20.68,-41.63,;21.45,-42.96,;20.69,-44.3,;22.99,-42.96,;23.75,-41.62,;22.98,-40.29,;25.29,-41.61,;26.07,-42.95,;27.6,-42.94,;28.37,-41.6,;29.91,-41.6,;30.67,-40.26,;29.9,-38.94,;32.22,-40.25,;32.99,-41.59,;34.53,-41.58,;35.29,-40.24,;34.52,-38.92,;32.98,-38.92,;36.83,-40.24,;37.6,-41.57,;39.14,-41.56,;39.91,-40.23,;39.13,-38.9,;37.6,-38.91,;36.82,-37.58,;27.6,-40.27,;26.06,-40.28,)|
Show InChI InChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)/t14-,19+
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9n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449321
PNG
(CHEMBL3126052)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCN(C3CC3)C2=O)nc1 |r,wU:15.15,18.22,(10.52,-42.21,;11.28,-43.54,;10.49,-44.87,;11.25,-46.21,;10.46,-47.53,;12.79,-46.23,;13.57,-44.9,;12.82,-43.56,;15.11,-44.92,;15.87,-46.27,;17.41,-46.28,;18.19,-44.96,;19.73,-44.98,;20.52,-43.65,;19.76,-42.31,;22.06,-43.67,;22.81,-45.01,;24.35,-45.03,;25.14,-43.7,;24.38,-42.36,;22.84,-42.35,;26.68,-43.72,;27.57,-44.98,;29.04,-44.52,;29.05,-42.98,;30.31,-42.08,;30.95,-40.69,;31.84,-41.94,;27.59,-42.49,;27.14,-41.02,;17.44,-43.61,;15.9,-43.6,)|
Show InChI InChI=1S/C24H26F2N4O2/c25-18-11-17(12-19(26)13-18)16-3-8-22(27-14-16)28-23(31)15-1-4-20(5-2-15)29-9-10-30(24(29)32)21-6-7-21/h3,8,11-15,20-21H,1-2,4-7,9-10H2,(H,27,28,31)/t15-,20+
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9n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449320
PNG
(CHEMBL3126050)
Show SMILES CCN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(35.65,-39.74,;34.26,-39.09,;33,-39.97,;32.97,-41.51,;31.5,-41.95,;30.61,-40.69,;29.07,-40.67,;28.27,-41.99,;26.73,-41.96,;25.99,-40.61,;26.78,-39.29,;28.32,-39.31,;24.45,-40.58,;23.7,-39.23,;23.65,-41.9,;22.11,-41.87,;21.32,-43.18,;19.78,-43.15,;19.03,-41.81,;19.83,-40.49,;21.37,-40.52,;17.49,-41.78,;16.75,-40.43,;15.21,-40.4,;14.47,-39.05,;14.41,-41.72,;15.16,-43.07,;14.36,-44.39,;16.7,-43.1,;31.54,-39.46,;31.09,-38,)|
Show InChI InChI=1S/C23H26F2N4O2/c1-2-28-9-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+
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10n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449319
PNG
(CHEMBL3126049)
Show SMILES CN1CCCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(29.98,-38.65,;29.2,-39.98,;29.96,-41.32,;29.19,-42.65,;27.65,-42.65,;26.88,-41.31,;25.34,-41.3,;24.57,-42.63,;23.03,-42.62,;22.26,-41.28,;23.04,-39.95,;24.58,-39.96,;20.72,-41.28,;19.96,-39.94,;19.95,-42.61,;18.41,-42.6,;17.63,-43.93,;16.09,-43.92,;15.33,-42.59,;16.1,-41.25,;17.64,-41.26,;13.79,-42.58,;13.02,-41.24,;11.48,-41.23,;10.72,-39.89,;10.71,-42.56,;11.47,-43.9,;10.7,-45.23,;13.01,-43.9,;27.66,-39.97,;26.9,-38.63,)|
Show InChI InChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)/t15-,20+
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12n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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27 -43.2n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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27n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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35 -42.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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35n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Show InChI InChI=1/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/s2
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39n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Show InChI InChI=1/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/s2
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39 -42.3n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449318
PNG
(CHEMBL3126051)
Show SMILES CC(C)N1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:10.13,7.6,(31.81,-39.8,;32.04,-41.33,;33.45,-41.95,;30.8,-42.22,;30.79,-43.76,;29.33,-44.23,;28.42,-42.98,;26.88,-42.97,;26.11,-44.31,;24.57,-44.3,;23.8,-42.96,;24.58,-41.64,;26.12,-41.64,;22.27,-42.96,;21.5,-41.63,;21.49,-44.29,;19.95,-44.28,;19.18,-45.62,;17.64,-45.61,;16.88,-44.27,;17.65,-42.94,;19.19,-42.95,;15.34,-44.27,;14.57,-42.93,;13.03,-42.93,;12.27,-41.6,;12.26,-44.26,;13.02,-45.6,;12.25,-46.93,;14.56,-45.6,;29.34,-41.74,;28.86,-40.28,)|
Show InChI InChI=1S/C24H28F2N4O2/c1-15(2)29-9-10-30(24(29)32)21-6-3-16(4-7-21)23(31)28-22-8-5-17(14-27-22)18-11-19(25)13-20(26)12-18/h5,8,11-16,21H,3-4,6-7,9-10H2,1-2H3,(H,27,28,31)/t16-,21+
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41n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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65n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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65 -41.0n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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78 -40.6n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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78n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141504
PNG
(US8921370, 36 | US9656975, 36)
Show SMILES Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Show InChI InChI=1/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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280n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141504
PNG
(US8921370, 36 | US9656975, 36)
Show SMILES Cc1cccc(c1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1ccncc1
Show InChI InChI=1/C22H25N3O2/c1-16-4-2-5-18(14-16)20(27)25-22-9-3-8-21(15-22,10-11-22)24-19(26)17-6-12-23-13-7-17/h2,4-7,12-14H,3,8-11,15H2,1H3,(H,24,26)(H,25,27)
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280 -37.4n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141503
PNG
(US8921370, 15 | US9656975, 15)
Show SMILES Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
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340 -36.9n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141503
PNG
(US8921370, 15 | US9656975, 15)
Show SMILES Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
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340n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141510
PNG
(US8921370, 178 | US9656975, 178)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Show InChI InChI=1/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
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370n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141510
PNG
(US8921370, 178 | US9656975, 178)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1ccnc(C)n1
Show InChI InChI=1/C21H25N5O2/c1-14-5-3-6-16(23-14)18(27)26-21-9-4-8-20(13-21,10-11-21)19(28)25-17-7-12-22-15(2)24-17/h3,5-7,12H,4,8-11,13H2,1-2H3,(H,26,27)(H,22,24,25,28)
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370 -36.7n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141509
PNG
(US8921370, 176 | US9656975, 176)
Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)
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500 -36.0n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141509
PNG
(US8921370, 176 | US9656975, 176)
Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)
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500n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449317
PNG
(CHEMBL3126054)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,wD:15.15,(19.4,-21.94,;20.17,-20.6,;19.4,-19.27,;20.17,-17.93,;19.4,-16.6,;21.71,-17.93,;22.48,-19.27,;21.71,-20.6,;24.02,-19.27,;24.79,-17.93,;26.33,-17.93,;27.1,-19.27,;28.64,-19.27,;29.41,-20.6,;28.71,-21.98,;30.94,-20.52,;31.78,-21.81,;33.32,-21.74,;34.02,-20.36,;33.18,-19.07,;31.64,-19.15,;35.56,-20.28,;36.4,-18.99,;37.88,-19.39,;37.97,-20.92,;36.53,-21.48,;36.12,-22.96,;26.33,-20.6,;24.79,-20.6,)|
Show InChI InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)/t14-,19-
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720n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
Glutamate Receptor


(Homo sapiens (Human))
BDBM141507
PNG
(US8921370, 161 | US9656975, 161)
Show SMILES Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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1.20E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141507
PNG
(US8921370, 161 | US9656975, 161)
Show SMILES Cc1cncc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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1.20E+3 -33.8n/an/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50449316
PNG
(CHEMBL3126038)
Show SMILES CN(C(=O)[C@@H]1CC[C@@H](CC1)N1CCCC1=O)c1ccc(cn1)-c1cc(F)cc(F)c1 |r,wU:4.3,7.10,(22.11,-20.01,;21.36,-21.35,;22.17,-22.67,;21.43,-24.02,;23.71,-22.63,;24.51,-23.94,;26.05,-23.9,;26.78,-22.55,;25.99,-21.23,;24.44,-21.28,;28.33,-22.51,;29.2,-21.24,;30.67,-21.68,;30.71,-23.22,;29.27,-23.73,;28.83,-25.21,;19.83,-21.36,;19.04,-20.03,;17.5,-20.04,;16.74,-21.38,;17.52,-22.7,;19.06,-22.69,;15.2,-21.39,;14.44,-22.73,;12.9,-22.74,;12.14,-24.08,;12.12,-21.42,;12.88,-20.08,;12.1,-18.75,;14.42,-20.06,)|
Show InChI InChI=1S/C23H25F2N3O2/c1-27(21-9-6-16(14-26-21)17-11-18(24)13-19(25)12-17)23(30)15-4-7-20(8-5-15)28-10-2-3-22(28)29/h6,9,11-15,20H,2-5,7-8,10H2,1H3/t15-,20+
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>1.00E+4n/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 transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting


Bioorg Med Chem Lett 24: 1458-61 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.023
BindingDB Entry DOI: 10.7270/Q2S75HT1
More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Show InChI InChI=1/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/s2
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n/an/a 0.320n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141505
PNG
(US8921370, 126 | US9656975, 126)
Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r|
Show InChI InChI=1/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/s2
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n/an/a 0.320n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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n/an/a 3.70n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141501
PNG
(US8921370, 2 | US9656975, 2)
Show SMILES Cc1cccc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1/C22H24ClN3O2/c1-15-5-2-8-18(24-15)20(28)26-22-10-4-9-21(14-22,11-12-22)25-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,27)(H,26,28)
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n/an/a 3.70n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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n/an/a 3.90n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141506
PNG
(US8921370, 160 | US9656975, 160)
Show SMILES Cc1cncc(n1)C(=O)N[C@]12CC[C@](C1)(CCC2)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)/t20-,21+/s2
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n/an/a 3.90n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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n/an/a 4.70n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141508
PNG
(US8921370, 171 | US9656975, 171)
Show SMILES Cc1csc(n1)C(=O)NC12CCC(C1)(CCC2)C(=O)Nc1cccc(C)n1
Show InChI InChI=1/C20H24N4O2S/c1-13-5-3-6-15(21-13)23-18(26)19-7-4-8-20(12-19,10-9-19)24-16(25)17-22-14(2)11-27-17/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,24,25)(H,21,23,26)
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n/an/a 4.70n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
hmglur5 flipr


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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n/an/a 9n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9656975 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PVM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM141502
PNG
(US8921370, 6 | US9656975, 6)
Show SMILES Cc1cncc(n1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(F)c1
Show InChI InChI=1/C21H23FN4O2/c1-14-11-23-12-17(24-14)19(28)26-21-7-3-6-20(13-21,8-9-21)25-18(27)15-4-2-5-16(22)10-15/h2,4-5,10-12H,3,6-9,13H2,1H3,(H,25,27)(H,26,28)
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n/an/a 9n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...


US Patent US8921370 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S3C
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50099566
PNG
((2-fluorophenyl)-(4-fluorophenyl)phenylacetamide |...)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO/c21-16-12-10-15(11-13-16)20(19(23)24,14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13H,(H2,23,24)
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n/an/a 9n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371390
PNG
(CHEMBL272039)
Show SMILES NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C20H14F3NO/c21-15-9-5-13(6-10-15)20(19(24)25,14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)23/h1-12H,(H2,24,25)
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n/an/a 10n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50371391
PNG
(SENICAPOC)
Show SMILES NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
PDB

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UniChem
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n/an/a 12n/an/an/an/an/an/a



Icagen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux


J Med Chem 51: 976-82 (2008)


Article DOI: 10.1021/jm070663s
BindingDB Entry DOI: 10.7270/Q23F4QGH
More data for this
Ligand-Target Pair
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