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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'wolinsky' and Initial = 'td'   
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
GPR24


(RAT)
BDBM50152456
PNG
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50152456
PNG
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219036
PNG
(CHEMBL388440 | N-{3-[1-(3-{[hydroxy(diphenyl)acety...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
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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 [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219040
PNG
(CHEMBL429464 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C33H39F2N3O2/c1-22(2)32(39)37-29-14-5-23(3)30(21-29)24-15-19-38(20-16-24)18-4-17-36-33(40)31(25-6-10-27(34)11-7-25)26-8-12-28(35)13-9-26/h5-14,21-22,24,31H,4,15-20H2,1-3H3,(H,36,40)(H,37,39)
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0.620n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
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))
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))
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
GPR24


(RAT)
BDBM50219026
PNG
(CHEMBL243338 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C32H37F2N3O2/c1-22(2)31(38)36-29-6-3-5-26(21-29)23-15-19-37(20-16-23)18-4-17-35-32(39)30(24-7-11-27(33)12-8-24)25-9-13-28(34)14-10-25/h3,5-14,21-23,30H,4,15-20H2,1-2H3,(H,35,39)(H,36,38)
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1.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
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))
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
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))
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))
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
GPR24


(RAT)
BDBM50219035
PNG
(CHEMBL243355 | N-{5-[1-(3-{[bis(4-fluorophenyl)ace...)
Show SMILES CC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F
Show InChI InChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40)
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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 [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219047
PNG
(CHEMBL245231 | N-(3-(1-(4-(3,4-difluorophenoxy)ben...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
Show InChI InChI=1S/C28H30F2N2O2/c1-19(2)28(33)31-23-5-3-4-22(16-23)21-12-14-32(15-13-21)18-20-6-8-24(9-7-20)34-25-10-11-26(29)27(30)17-25/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,31,33)
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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 [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219029
PNG
(CHEMBL390679 | N-{3-[1-(2-diphenylacetylamino-ethy...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H37N3O2/c1-23(2)30(35)33-28-15-9-14-27(22-28)24-16-19-34(20-17-24)21-18-32-31(36)29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,22-24,29H,16-21H2,1-2H3,(H,32,36)(H,33,35)
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219023
PNG
(CHEMBL243138 | N-{3-[1-(3-diphenylacetylamino-prop...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C32H39N3O2/c1-24(2)31(36)34-29-16-9-15-28(23-29)25-17-21-35(22-18-25)20-10-19-33-32(37)30(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-9,11-16,23-25,30H,10,17-22H2,1-2H3,(H,33,37)(H,34,36)
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
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
GPR24


(RAT)
BDBM50219037
PNG
(1-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C32H44FN3O2/c1-23(2)30(37)35-28-13-8-24(3)29(22-28)25-14-20-36(21-15-25)19-7-18-34-31(38)32(16-5-4-6-17-32)26-9-11-27(33)12-10-26/h8-13,22-23,25H,4-7,14-21H2,1-3H3,(H,34,38)(H,35,37)
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219053
PNG
(CHEMBL242004 | N-(3-{1-4-(3,4-difluorophenoxy)benz...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
Show InChI InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
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2.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219044
PNG
(CHEMBL243128 | N-{3-[1-(3-{[bis(4-chlorophenyl)ace...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C32H37Cl2N3O2/c1-22(2)31(38)36-29-6-3-5-26(21-29)23-15-19-37(20-16-23)18-4-17-35-32(39)30(24-7-11-27(33)12-8-24)25-9-13-28(34)14-10-25/h3,5-14,21-23,30H,4,15-20H2,1-2H3,(H,35,39)(H,36,38)
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2.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354081
PNG
(CHEMBL1836327)
Show SMILES CC(C)S(=O)(=O)NCCOCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
Show InChI InChI=1S/C19H26FN3O3S2/c1-13(2)28(24,25)22-9-11-26-10-8-21-19-23-18-16-12-15(20)7-6-14(16)4-3-5-17(18)27-19/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,21,23)
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2.40n/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))
BDBM50354071
PNG
(CHEMBL1836318)
Show SMILES CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
Show InChI InChI=1S/C20H27N3O2S3/c1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20/h3-6,14-15,21H,2,7-13H2,1H3,(H,22,23)/t14-,15-
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2.80n/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
GPR24


(RAT)
BDBM50219025
PNG
(CHEMBL243578 | N-{3-[1-(3-{[bis(4-fluorophenyl)ace...)
Show SMILES CC(C)C(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1F
Show InChI InChI=1S/C32H34F5N3O2/c1-19(2)31(41)39-30-26(36)18-25(35)28(29(30)37)22-12-16-40(17-13-22)15-3-14-38-32(42)27(20-4-8-23(33)9-5-20)21-6-10-24(34)11-7-21/h4-11,18-19,22,27H,3,12-17H2,1-2H3,(H,38,42)(H,39,41)
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2.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219042
PNG
(CHEMBL242689 | N-[3-(1-{3-[(diphenylacetyl)amino]p...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C33H41N3O2/c1-24(2)32(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-33(38)31(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,31H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
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3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354064
PNG
(CHEMBL1836326)
Show SMILES Fc1ccc2CCCc3sc(NCCCCNS(=O)(=O)CC(F)(F)F)nc3-c2c1
Show InChI InChI=1S/C18H21F4N3O2S2/c19-13-7-6-12-4-3-5-15-16(14(12)10-13)25-17(28-15)23-8-1-2-9-24-29(26,27)11-18(20,21)22/h6-7,10,24H,1-5,8-9,11H2,(H,23,25)
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3.40n/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
GPR24


(RAT)
BDBM50219031
PNG
(1-(4-fluorophenyl)-N-(3-{4-[5-(isobutylamino)-2-me...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C31H42FN3O2/c1-22(2)29(36)34-27-12-7-23(3)28(21-27)24-13-19-35(20-14-24)18-6-17-33-30(37)31(15-4-5-16-31)25-8-10-26(32)11-9-25/h7-12,21-22,24H,4-6,13-20H2,1-3H3,(H,33,37)(H,34,36)
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3.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354076
PNG
(CHEMBL1836103)
Show SMILES COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:14.14,wD:17.21,(38.95,-3.6,;37.61,-2.84,;36.28,-3.62,;36.3,-5.16,;34.96,-5.95,;33.62,-5.18,;32.29,-5.96,;33.61,-3.64,;34.95,-2.87,;34.94,-1.33,;36.48,-1.32,;35.7,.01,;33.6,-.57,;33.59,.98,;32.25,1.74,;30.92,.96,;29.58,1.72,;29.58,3.26,;30.9,4.05,;32.24,3.28,;28.23,4.02,;26.91,3.24,;25.54,3.83,;24.55,2.71,;25.3,1.43,;24.71,-.06,;23.22,-.47,;21.99,.44,;21.93,2.03,;20.53,2.52,;20.26,3.98,;21.39,4.95,;22.79,4.45,;23.06,3,;26.76,1.75,)|
Show InChI InChI=1S/C26H31N3O3S3/c1-17-7-12-21(32-2)24(15-17)35(30,31)27-16-18-8-10-19(11-9-18)28-26-29-25-20-5-3-4-6-22(20)33-14-13-23(25)34-26/h3-7,12,15,18-19,27H,8-11,13-14,16H2,1-2H3,(H,28,29)/t18-,19-
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4.90n/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
GPR24


(RAT)
BDBM50219062
PNG
(CHEMBL394569 | N-(3-{1-[4-(4-chlorophenyl)-4-oxobu...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H31ClN2O2/c1-18(2)25(30)27-23-6-3-5-21(17-23)19-12-15-28(16-13-19)14-4-7-24(29)20-8-10-22(26)11-9-20/h3,5-6,8-11,17-19H,4,7,12-16H2,1-2H3,(H,27,30)
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5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219064
PNG
(CHEMBL245010 | N-(3-{1-[4-(4-chlorophenoxy)benzyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32)
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5.30n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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6.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin transporter


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))
BDBM50354080
PNG
(CHEMBL1836328)
Show SMILES COc1ccc2-c3nc(NC[C@H]4CC[C@@H](CC4)NS(C)(=O)=O)sc3CCOc2c1 |r,wU:11.10,wD:14.17,(14,4.11,;14.26,2.58,;15.71,2.05,;16.87,3,;18.26,2.48,;18.51,1.01,;20,.7,;21.01,1.81,;22.36,1.18,;23.72,1.93,;23.74,3.48,;25.1,4.23,;25.13,5.78,;26.49,6.53,;27.8,5.73,;27.78,4.19,;26.43,3.44,;29.16,6.48,;30.48,5.69,;31.84,6.44,;29.69,4.36,;31.24,4.33,;22.21,-.31,;20.74,-.61,;20.11,-2.09,;18.61,-2.48,;17.39,-1.54,;17.36,.06,;15.96,.58,)|
Show InChI InChI=1S/C20H27N3O4S2/c1-26-15-7-8-16-17(11-15)27-10-9-18-19(16)22-20(28-18)21-12-13-3-5-14(6-4-13)23-29(2,24)25/h7-8,11,13-14,23H,3-6,9-10,12H2,1-2H3,(H,21,22)/t13-,14-
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6.70n/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))
BDBM50354082
PNG
(CHEMBL1836321)
Show SMILES Fc1ccc2CCCc3sc(NCCCCCNS(=O)(=O)CC(F)(F)F)nc3-c2c1
Show InChI InChI=1S/C19H23F4N3O2S2/c20-14-8-7-13-5-4-6-16-17(15(13)11-14)26-18(29-16)24-9-2-1-3-10-25-30(27,28)12-19(21,22)23/h7-8,11,25H,1-6,9-10,12H2,(H,24,26)
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7.5n/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
GPR24


(RAT)
BDBM50219032
PNG
(CHEMBL242902 | N-(3-{4-[3-(isobutyrylamino)phenyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(CCCNC(=O)C(C)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C33H41N3O2/c1-25(2)31(37)35-30-17-10-12-27(24-30)26-18-22-36(23-19-26)21-11-20-34-32(38)33(3,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24-26H,11,18-23H2,1-3H3,(H,34,38)(H,35,37)
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7.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219050
PNG
(CHEMBL389129 | N-(3-{1-[4-(3,4-dichlorophenoxy)ben...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CC1
Show InChI InChI=1S/C28H30Cl2N2O2/c1-19(2)28(33)31-23-5-3-4-22(16-23)21-12-14-32(15-13-21)18-20-6-8-24(9-7-20)34-25-10-11-26(29)27(30)17-25/h3-11,16-17,19,21H,12-15,18H2,1-2H3,(H,31,33)
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8.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219038
PNG
(CHEMBL243507 | N-(3-{4-[3-(isobutylrylamino)phenyl...)
Show SMILES CCCCCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H49N3O2/c1-4-5-12-23-37(32-16-8-6-9-17-32,33-18-10-7-11-19-33)36(42)38-24-14-25-40-26-21-30(22-27-40)31-15-13-20-34(28-31)39-35(41)29(2)3/h6-11,13,15-20,28-30H,4-5,12,14,21-27H2,1-3H3,(H,38,42)(H,39,41)
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8.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354067
PNG
(CHEMBL1836323)
Show SMILES CS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
Show InChI InChI=1S/C17H23N3O2S3/c1-25(21,22)19-11-6-2-5-10-18-17-20-16-13-7-3-4-8-14(13)23-12-9-15(16)24-17/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,18,20)
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8.80n/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
GPR24


(RAT)
BDBM50219054
PNG
(2-methyl-N-{3-[1-(4-phenoxybenzyl)-4-piperidinyl]p...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-8-6-7-24(19-25)23-15-17-30(18-16-23)20-22-11-13-27(14-12-22)32-26-9-4-3-5-10-26/h3-14,19,21,23H,15-18,20H2,1-2H3,(H,29,31)
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10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219043
PNG
((2S)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@@H](C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m0/s1
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10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354075
PNG
(CHEMBL1836314)
Show SMILES O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccc2ccccc12 |r,wU:5.4,wD:8.11,(6.06,-16.55,;4.52,-16.53,;5.31,-15.2,;3.19,-15.74,;3.21,-14.19,;1.88,-13.4,;.53,-14.15,;-.79,-13.37,;-.77,-11.83,;.57,-11.06,;1.9,-11.85,;-2.1,-11.04,;-3.45,-11.8,;-4.81,-11.18,;-5.82,-12.29,;-5.08,-13.59,;-5.7,-15.07,;-7.21,-15.46,;-8.42,-14.52,;-8.46,-12.92,;-9.85,-12.4,;-10.1,-10.94,;-8.95,-9.99,;-7.55,-10.51,;-7.31,-11.97,;-3.62,-13.29,;4.5,-18.07,;5.82,-18.85,;5.81,-20.39,;4.46,-21.16,;3.13,-20.36,;1.79,-21.11,;.47,-20.34,;.49,-18.79,;1.83,-18.04,;3.15,-18.82,)|
Show InChI InChI=1S/C28H29N3O2S3/c32-36(33,26-11-5-7-20-6-1-2-8-22(20)26)29-18-19-12-14-21(15-13-19)30-28-31-27-23-9-3-4-10-24(23)34-17-16-25(27)35-28/h1-11,19,21,29H,12-18H2,(H,30,31)/t19-,21-
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13.9n/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
GPR24


(RAT)
BDBM50219041
PNG
(CHEMBL242901 | N-{3-[4-(3-isobutyrylamino-phenyl)-...)
Show SMILES CCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H43N3O2/c1-4-34(29-14-7-5-8-15-29,30-16-9-6-10-17-30)33(39)35-21-12-22-37-23-19-27(20-24-37)28-13-11-18-31(25-28)36-32(38)26(2)3/h5-11,13-18,25-27H,4,12,19-24H2,1-3H3,(H,35,39)(H,36,38)
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14n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354063
PNG
(CHEMBL1836332)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCOc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(55.11,-10.15,;53.77,-10.92,;53,-12.26,;54.54,-12.26,;52.43,-10.14,;51.09,-10.91,;49.75,-10.14,;48.42,-10.91,;47.08,-10.13,;47.07,-8.59,;48.42,-7.82,;49.76,-8.6,;45.74,-7.8,;44.39,-8.55,;43.03,-7.93,;42.02,-9.03,;42.76,-10.34,;42.14,-11.82,;40.63,-12.21,;39.41,-11.27,;39.38,-9.67,;37.99,-9.15,;37.74,-7.69,;38.89,-6.73,;40.29,-7.25,;40.53,-8.72,;44.23,-10.04,)|
Show InChI InChI=1S/C19H25N3O3S2/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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16.1n/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
GPR24


(RAT)
BDBM50219055
PNG
(CHEMBL244791 | N-(3-{1-[3-(3,4-dichlorophenoxy)ben...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)CC1
Show InChI InChI=1S/C28H30Cl2N2O2/c1-19(2)28(33)31-23-7-4-6-22(16-23)21-11-13-32(14-12-21)18-20-5-3-8-24(15-20)34-25-9-10-26(29)27(30)17-25/h3-10,15-17,19,21H,11-14,18H2,1-2H3,(H,31,33)
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18n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354074
PNG
(CHEMBL1836315)
Show SMILES Cn1cnc(c1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:11.11,wD:14.18,(18.91,-20.53,;19.83,-19.3,;21.38,-19.32,;21.87,-17.85,;20.63,-16.93,;19.38,-17.82,;20.65,-15.38,;22.19,-15.4,;21.44,-14.06,;19.32,-14.59,;19.34,-13.05,;18.02,-12.26,;16.67,-13.02,;15.34,-12.23,;15.37,-10.69,;16.7,-9.92,;18.03,-10.72,;14.04,-9.9,;12.69,-10.66,;11.33,-10.04,;10.32,-11.15,;11.05,-12.45,;10.43,-13.93,;8.93,-14.32,;7.72,-13.38,;7.68,-11.78,;6.29,-11.26,;6.04,-9.8,;7.19,-8.85,;8.59,-9.37,;8.83,-10.84,;12.52,-12.15,)|
Show InChI InChI=1S/C22H27N5O2S3/c1-27-13-20(23-14-27)32(28,29)24-12-15-6-8-16(9-7-15)25-22-26-21-17-4-2-3-5-18(17)30-11-10-19(21)31-22/h2-5,13-16,24H,6-12H2,1H3,(H,25,26)/t15-,16-
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21.5n/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
GPR24


(RAT)
BDBM50219066
PNG
(CHEMBL244578 | N-(3-{1-[3-(4-chlorophenoxy)benzyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-7-4-6-23(18-25)22-13-15-31(16-14-22)19-21-5-3-8-27(17-21)33-26-11-9-24(29)10-12-26/h3-12,17-18,20,22H,13-16,19H2,1-2H3,(H,30,32)
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23n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219045
PNG
(CHEMBL242003 | N-(5-{1-[4-(3,4-difluorophenoxy)ben...)
Show SMILES CC(C)C(=O)Nc1cc(ccc1C)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
Show InChI InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-28-16-23(7-4-20(28)3)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-26(30)27(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
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27n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50354065
PNG
(CHEMBL1836325)
Show SMILES CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCCc3ccc(F)cc-23)s1 |r,wU:5.4,wD:8.11,(26.46,-46.27,;25.36,-45.19,;26.16,-43.86,;24.61,-43.83,;24.14,-46.14,;22.8,-45.35,;21.45,-46.11,;20.12,-45.32,;20.14,-43.78,;21.48,-43.01,;22.81,-43.8,;18.81,-42.99,;17.47,-43.75,;16.1,-43.13,;15.08,-44.24,;15.82,-45.55,;15.2,-47.03,;13.69,-47.42,;12.48,-46.48,;12.44,-44.87,;11.05,-44.36,;10.8,-42.89,;11.95,-41.93,;11.69,-40.41,;13.35,-42.46,;13.59,-43.93,;17.3,-45.25,)|
Show InChI InChI=1S/C19H24FN3O2S2/c1-27(24,25)23-15-9-7-14(8-10-15)21-19-22-18-16-11-13(20)6-5-12(16)3-2-4-17(18)26-19/h5-6,11,14-15,23H,2-4,7-10H2,1H3,(H,21,22)/t14-,15-
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27n/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
GPR24


(RAT)
BDBM50219063
PNG
(2-methyl-N-{3-[1-(3-phenoxybenzyl)-4-piperidinyl]p...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
Show InChI InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-10-7-9-24(19-25)23-14-16-30(17-15-23)20-22-8-6-13-27(18-22)32-26-11-4-3-5-12-26/h3-13,18-19,21,23H,14-17,20H2,1-2H3,(H,29,31)
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28n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219039
PNG
((2R)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m1/s1
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28n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
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