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Compile Data Set for Download or QSAR

Found 71 hits of ec50 data for polymerid = 3662,50006057,50007167   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371872
PNG
(CHEMBL257280)
Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O
Show InChI InChI=1S/C28H34N4O2/c1-18-5-8-24-23(11-18)30-27(28(2,3)33)32(24)25-9-10-31(17-26(25)34-4)16-20-13-21-7-6-19(15-29)12-22(21)14-20/h5-8,11-12,20,25-26,33H,9-10,13-14,16-17H2,1-4H3/t20-,25+,26+/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371868
PNG
(CHEMBL269939)
Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C25H30BrN3O/c1-16-4-7-23-22(10-16)27-17(2)29(23)24-8-9-28(15-25(24)30-3)14-18-11-19-5-6-21(26)13-20(19)12-18/h4-7,10,13,18,24-25H,8-9,11-12,14-15H2,1-3H3/t18-,24+,25+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492356
PNG
(CHEMBL2403854)
Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:11.12,14.19,(6.58,-24.86,;5.4,-25.85,;3.9,-25.49,;3.09,-26.8,;1.57,-27.07,;1.05,-28.53,;-.46,-28.8,;2.04,-29.7,;3.56,-29.43,;4.09,-27.98,;5.51,-27.4,;6.85,-28.18,;6.79,-29.74,;8.1,-30.55,;9.45,-29.84,;9.51,-28.27,;8.19,-27.45,;10.79,-30.62,;12.13,-29.87,;12.14,-28.33,;10.9,-27.41,;11.39,-25.95,;10.64,-24.62,;11.41,-23.3,;12.95,-23.31,;13.73,-21.99,;13.7,-24.65,;12.92,-25.97,;13.39,-27.43,)|
Show InChI InChI=1S/C25H30ClN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3/t18?,22-,23+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371871
PNG
(CHEMBL255112)
Show SMILES CO[C@H]1CN(CCCc2cccc(NC(=O)C3CC3)c2)CC[C@@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C28H36N4O2/c1-19-9-12-25-24(16-19)29-20(2)32(25)26-13-15-31(18-27(26)34-3)14-5-7-21-6-4-8-23(17-21)30-28(33)22-10-11-22/h4,6,8-9,12,16-17,22,26-27H,5,7,10-11,13-15,18H2,1-3H3,(H,30,33)/t26-,27-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371869
PNG
(CHEMBL270151)
Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(NC(=O)OC)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C27H34N4O3/c1-17-5-8-24-23(11-17)28-18(2)31(24)25-9-10-30(16-26(25)33-3)15-19-12-20-6-7-22(14-21(20)13-19)29-27(32)34-4/h5-8,11,14,19,25-26H,9-10,12-13,15-16H2,1-4H3,(H,29,32)/t19-,25+,26+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492361
PNG
(CHEMBL2403864)
Show SMILES Cc1ccc2n([C@@H]3CC[C@@H](CC3)NC[C@H]3Cc4ccc(cc4C3)C#N)c(nc2c1)C(C)(C)O |r,wU:6.5,9.12,14.14,(36.65,-12.27,;38.17,-12,;39.16,-13.18,;40.68,-12.9,;41.21,-11.45,;42.62,-10.88,;43.96,-11.65,;43.9,-13.21,;45.22,-14.03,;46.57,-13.31,;46.63,-11.75,;45.31,-10.93,;47.9,-14.1,;49.24,-13.34,;49.26,-11.8,;48.01,-10.88,;48.5,-9.42,;47.75,-8.1,;48.53,-6.78,;50.07,-6.79,;50.82,-8.13,;50.04,-9.44,;50.5,-10.91,;50.84,-5.46,;51.62,-4.14,;42.52,-9.32,;41.02,-8.96,;40.21,-10.27,;38.68,-10.55,;43.69,-8.32,;42.91,-6.99,;44.46,-6.98,;45.14,-8.85,)|
Show InChI InChI=1S/C28H34N4O/c1-18-4-11-26-25(12-18)31-27(28(2,3)33)32(26)24-9-7-23(8-10-24)30-17-20-14-21-6-5-19(16-29)13-22(21)15-20/h4-6,11-13,20,23-24,30,33H,7-10,14-15,17H2,1-3H3/t20-,23-,24+/m0/s1
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM30156
PNG
(2-aminobenzimidazole-based compound, 8)
Show SMILES CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C21H23F3N4O/c1-13(2)28(3)20-26-17-10-9-16(12-18(17)27-20)25-19(29)11-6-14-4-7-15(8-5-14)21(22,23)24/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,25,29)(H,26,27)
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n/an/a 5.90n/a 21n/an/a7.422



Banyu Pharmaceutical Co.



Assay Description
Compounds were evaluated for their binding affinity to the membranes of CHO-K1 cells expressing human MCH1R (hMCH1R) in a competition binding assay w...


Bioorg Med Chem Lett 19: 3568-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.147
BindingDB Entry DOI: 10.7270/Q2C24TR1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM30164
PNG
(2-aminobenzimidazole-based compound, 12)
Show SMILES CN(C1CCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C23H25F3N4O/c1-30(18-4-2-3-5-18)22-28-19-12-11-17(14-20(19)29-22)27-21(31)13-8-15-6-9-16(10-7-15)23(24,25)26/h6-7,9-12,14,18H,2-5,8,13H2,1H3,(H,27,31)(H,28,29)
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n/an/a 4n/a 22n/an/a7.422



Banyu Pharmaceutical Co.



Assay Description
Compounds were evaluated for their binding affinity to the membranes of CHO-K1 cells expressing human MCH1R (hMCH1R) in a competition binding assay w...


Bioorg Med Chem Lett 19: 3568-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.147
BindingDB Entry DOI: 10.7270/Q2C24TR1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492349
PNG
(CHEMBL2403861)
Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,22.24,(71.13,-8.4,;71.91,-9.74,;72.68,-8.4,;73.37,-10.27,;70.74,-10.74,;69.24,-10.38,;68.43,-11.69,;66.91,-11.96,;66.39,-13.41,;64.88,-13.69,;67.38,-14.59,;68.9,-14.32,;69.43,-12.87,;70.85,-12.29,;72.19,-13.07,;72.13,-14.63,;73.44,-15.44,;74.8,-14.73,;74.85,-13.16,;73.53,-12.34,;76.13,-15.51,;77.47,-14.76,;77.48,-13.22,;76.24,-12.3,;76.73,-10.84,;75.98,-9.51,;76.75,-8.19,;78.29,-8.2,;79.04,-9.54,;78.26,-10.86,;78.73,-12.32,;79.06,-6.88,;79.85,-5.55,)|
Show InChI InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492348
PNG
(CHEMBL2403866)
Show SMILES Cc1nc2cc(F)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(52.97,-7.87,;51.79,-8.86,;50.3,-8.5,;49.48,-9.81,;47.96,-10.09,;47.45,-11.54,;45.93,-11.81,;48.44,-12.72,;49.96,-12.44,;50.49,-10.99,;51.9,-10.41,;53.24,-11.19,;53.18,-12.75,;54.49,-13.57,;55.85,-12.85,;55.91,-11.29,;54.59,-10.47,;57.18,-13.64,;58.52,-12.88,;58.54,-11.34,;57.29,-10.42,;57.78,-8.96,;57.03,-7.63,;57.8,-6.31,;59.35,-6.33,;60.1,-7.66,;59.32,-8.98,;59.78,-10.45,;60.13,-5.01,;60.91,-3.68,)|
Show InChI InChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3/t18-,22-,23+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM30165
PNG
(2-aminobenzimidazole-based compound, 13)
Show SMILES CN(C1CCCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C24H27F3N4O/c1-31(19-5-3-2-4-6-19)23-29-20-13-12-18(15-21(20)30-23)28-22(32)14-9-16-7-10-17(11-8-16)24(25,26)27/h7-8,10-13,15,19H,2-6,9,14H2,1H3,(H,28,32)(H,29,30)
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n/an/a 6.70n/a 27n/an/a7.422



Banyu Pharmaceutical Co.



Assay Description
Compounds were evaluated for their binding affinity to the membranes of CHO-K1 cells expressing human MCH1R (hMCH1R) in a competition binding assay w...


Bioorg Med Chem Lett 19: 3568-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.147
BindingDB Entry DOI: 10.7270/Q2C24TR1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193637
PNG
((E)-N-(4-amino-2-tert-butylquinolin-6-yl)-3-(4-(tr...)
Show SMILES CC(C)(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-22(2,3)20-13-18(27)17-12-16(9-10-19(17)29-20)28-21(30)11-6-14-4-7-15(8-5-14)23(24,25)26/h4-13H,1-3H3,(H2,27,29)(H,28,30)/b11-6+
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n/an/an/an/a 29n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371866
PNG
(CHEMBL257906)
Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(nc2cc(C)ccc12)C(C)(C)O
Show InChI InChI=1S/C27H34BrN3O2/c1-17-5-8-23-22(11-17)29-26(27(2,3)32)31(23)24-9-10-30(16-25(24)33-4)15-18-12-19-6-7-21(28)14-20(19)13-18/h5-8,11,14,18,24-25,32H,9-10,12-13,15-16H2,1-4H3/t18-,24+,25+/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492350
PNG
(CHEMBL2403858)
Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1 |r,wU:14.15,17.22,(36.22,-8.65,;37,-9.99,;37.77,-8.65,;38.46,-10.52,;35.83,-10.99,;34.33,-10.62,;33.52,-11.94,;32,-12.21,;31.48,-13.66,;29.97,-13.94,;32.47,-14.84,;33.99,-14.57,;34.52,-13.12,;35.94,-12.54,;37.28,-13.32,;37.22,-14.88,;38.53,-15.69,;39.89,-14.98,;39.94,-13.41,;38.62,-12.59,;41.22,-15.76,;42.56,-15.01,;42.57,-13.47,;41.33,-12.55,;41.82,-11.09,;41.07,-9.76,;41.84,-8.44,;43.38,-8.45,;44.16,-7.13,;44.13,-9.79,;43.35,-11.11,;43.82,-12.57,)|
Show InChI InChI=1S/C26H31Cl2N3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16?,21-,22+
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Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492360
PNG
(CHEMBL2403856)
Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N |r,wU:11.12,14.19,19.21,(37.22,-25.78,;36.05,-26.77,;34.55,-26.4,;33.74,-27.72,;32.21,-27.99,;31.7,-29.44,;30.18,-29.72,;32.69,-30.62,;34.21,-30.35,;34.74,-28.9,;36.16,-28.32,;37.49,-29.1,;37.43,-30.66,;38.75,-31.47,;40.1,-30.76,;40.16,-29.19,;38.84,-28.37,;41.43,-31.54,;42.77,-30.79,;42.79,-29.25,;41.54,-28.33,;42.03,-26.87,;41.28,-25.54,;42.06,-24.22,;43.6,-24.23,;44.35,-25.57,;43.57,-26.89,;44.04,-28.35,;44.37,-22.91,;45.15,-21.58,)|
Show InChI InChI=1S/C26H30N4/c1-17-3-10-26-25(11-17)29-18(2)30(26)24-8-6-23(7-9-24)28-16-20-13-21-5-4-19(15-27)12-22(21)14-20/h3-5,10-12,20,23-24,28H,6-9,13-14,16H2,1-2H3/t20-,23-,24+/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492354
PNG
(CHEMBL2403862)
Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@@H]1Cc2ccc(cc2C1)C#N |r,wU:14.15,17.22,wD:22.24,(41.99,-6.39,;42.77,-7.73,;43.54,-6.38,;44.22,-8.25,;41.59,-8.72,;40.1,-8.36,;39.28,-9.67,;37.76,-9.95,;37.25,-11.4,;35.73,-11.68,;38.24,-12.58,;39.76,-12.31,;40.29,-10.85,;41.7,-10.28,;43.04,-11.06,;42.98,-12.61,;44.29,-13.43,;45.65,-12.71,;45.71,-11.15,;44.39,-10.33,;46.98,-13.5,;48.32,-12.74,;48.34,-11.2,;47.09,-10.29,;47.58,-8.83,;46.83,-7.5,;47.6,-6.18,;49.15,-6.19,;49.9,-7.53,;49.12,-8.85,;49.58,-10.31,;49.92,-4.86,;50.7,-3.54,)|
Show InChI InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492364
PNG
(CHEMBL2403863)
Show SMILES Cc1ccc2n([C@@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O |r,wU:6.5,9.12,(52,-11.61,;53.52,-11.34,;54.5,-12.51,;56.02,-12.24,;56.55,-10.79,;57.97,-10.21,;59.31,-10.99,;59.25,-12.55,;60.56,-13.37,;61.92,-12.65,;61.97,-11.09,;60.65,-10.26,;63.25,-13.44,;64.59,-12.68,;64.6,-11.14,;63.36,-10.22,;63.85,-8.76,;63.1,-7.43,;63.87,-6.12,;65.41,-6.13,;66.2,-4.8,;66.17,-7.46,;65.38,-8.78,;65.85,-10.25,;57.86,-8.66,;56.37,-8.3,;55.55,-9.61,;54.03,-9.89,;59.03,-7.66,;58.26,-6.32,;59.8,-6.32,;60.49,-8.19,)|
Show InChI InChI=1S/C27H34FN3O/c1-17-4-11-25-24(12-17)30-26(27(2,3)32)31(25)23-9-7-22(8-10-23)29-16-18-13-19-5-6-21(28)15-20(19)14-18/h4-6,11-12,15,18,22-23,29,32H,7-10,13-14,16H2,1-3H3/t18?,22-,23+
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n/an/an/an/a 30n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492351
PNG
(CHEMBL2403857)
Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccccc2C1 |r,wU:14.15,17.22,(12.55,-5.84,;13.32,-7.18,;14.09,-5.84,;14.78,-7.71,;12.15,-8.18,;10.66,-7.82,;9.84,-9.13,;8.32,-9.41,;7.81,-10.86,;6.29,-11.13,;8.79,-12.03,;10.31,-11.76,;10.84,-10.31,;12.26,-9.73,;13.6,-10.51,;13.54,-12.07,;14.85,-12.89,;16.21,-12.17,;16.26,-10.61,;14.94,-9.78,;17.54,-12.96,;18.88,-12.2,;18.89,-10.66,;20.14,-9.77,;19.67,-8.3,;20.46,-6.98,;19.7,-5.65,;18.16,-5.63,;17.39,-6.95,;18.14,-8.28,;17.65,-9.74,)|
Show InChI InChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3/t21-,22+
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n/an/an/an/a 40n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371870
PNG
(CHEMBL258260)
Show SMILES CO[C@@H]1CN(C[C@@H]2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C29H38N4O2/c1-18(2)29(34)31-24-8-7-22-13-21(14-23(22)15-24)16-32-11-10-27(28(17-32)35-5)33-20(4)30-25-12-19(3)6-9-26(25)33/h6-9,12,15,18,21,27-28H,10-11,13-14,16-17H2,1-5H3,(H,31,34)/t21-,27-,28-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193645
PNG
((E)-N-(4-amino-2-sec-butylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CCC(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-3-14(2)21-13-19(27)18-12-17(9-10-20(18)29-21)28-22(30)11-6-15-4-7-16(8-5-15)23(24,25)26/h4-14H,3H2,1-2H3,(H2,27,29)(H,28,30)/b11-6+
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n/an/an/an/a 44n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492353
PNG
(CHEMBL2403865)
Show SMILES Cc1nc2cc(ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1)C#N |r,wU:10.11,13.18,(61.81,-8.75,;60.63,-9.74,;59.13,-9.38,;58.32,-10.69,;56.8,-10.97,;56.28,-12.42,;57.27,-13.6,;58.79,-13.32,;59.32,-11.87,;60.74,-11.3,;62.08,-12.07,;62.02,-13.63,;63.33,-14.45,;64.68,-13.73,;64.74,-12.17,;63.42,-11.35,;66.02,-14.52,;67.36,-13.76,;67.37,-12.22,;66.13,-11.3,;66.62,-9.84,;65.87,-8.52,;66.64,-7.2,;68.18,-7.21,;68.96,-5.88,;68.93,-8.55,;68.15,-9.86,;68.62,-11.33,;54.77,-12.7,;53.26,-12.98,)|
Show InChI InChI=1S/C25H27ClN4/c1-16-29-24-12-17(14-27)2-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-10-19-3-4-21(26)13-20(19)11-18/h2-4,9,12-13,18,22-23,28H,5-8,10-11,15H2,1H3/t18?,22-,23+
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n/an/an/an/a 53n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492355
PNG
(CHEMBL2403859)
Show SMILES CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(Br)cc2C1 |r,wU:14.15,17.22,22.24,(11.65,-5.98,;12.43,-7.32,;13.2,-5.98,;13.88,-7.85,;11.26,-8.32,;9.76,-7.96,;8.95,-9.27,;7.42,-9.54,;6.91,-11,;5.39,-11.27,;7.9,-12.17,;9.42,-11.9,;9.95,-10.45,;11.36,-9.87,;12.7,-10.65,;12.64,-12.21,;13.96,-13.02,;15.31,-12.31,;15.37,-10.74,;14.05,-9.92,;16.64,-13.09,;17.98,-12.34,;18,-10.8,;16.75,-9.88,;17.24,-8.42,;16.49,-7.09,;17.26,-5.77,;18.81,-5.78,;19.59,-4.46,;19.56,-7.12,;18.78,-8.44,;19.24,-9.91,)|
Show InChI InChI=1S/C26H31BrClN3O/c1-26(2,32)25-30-23-14-20(28)5-10-24(23)31(25)22-8-6-21(7-9-22)29-15-16-11-17-3-4-19(27)13-18(17)12-16/h3-5,10,13-14,16,21-22,29,32H,6-9,11-12,15H2,1-2H3/t16-,21-,22+/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193603
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H20F3N3O/c1-2-3-16-13-19(26)18-12-17(9-10-20(18)27-16)28-21(29)11-6-14-4-7-15(8-5-14)22(23,24)25/h4-13H,2-3H2,1H3,(H2,26,27)(H,28,29)/b11-6+
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n/an/an/an/a 61n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193638
PNG
((E)-N-(4-amino-2-cyclopentylquinolin-6-yl)-3-(4-(t...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCCC1
Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)17-8-5-15(6-9-17)7-12-23(31)29-18-10-11-21-19(13-18)20(28)14-22(30-21)16-3-1-2-4-16/h5-14,16H,1-4H2,(H2,28,30)(H,29,31)/b12-7+
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n/an/an/an/a 68n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371867
PNG
(CHEMBL257905)
Show SMILES CO[C@@H]1CN(CC2Cc3ccccc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc12
Show InChI InChI=1S/C25H31N3O/c1-17-8-9-23-22(12-17)26-18(2)28(23)24-10-11-27(16-25(24)29-3)15-19-13-20-6-4-5-7-21(20)14-19/h4-9,12,19,24-25H,10-11,13-16H2,1-3H3/t24-,25-/m1/s1
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n/an/an/an/a 69n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50492347
PNG
(CHEMBL2403852)
Show SMILES Cc1nc2cc(C)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(Br)cc2C1 |r,wU:19.21,wD:11.12,14.19,(10.24,-8.49,;9.76,-9.96,;8.29,-10.43,;8.29,-11.97,;7.15,-13,;7.47,-14.51,;6.33,-15.54,;8.93,-14.99,;10.08,-13.96,;9.76,-12.45,;10.66,-11.2,;12.2,-11.2,;12.97,-9.87,;14.51,-9.87,;15.28,-11.2,;14.51,-12.54,;12.97,-12.54,;16.82,-11.2,;17.59,-9.87,;19.13,-9.87,;20.04,-8.62,;21.5,-9.1,;22.84,-8.33,;24.17,-9.1,;24.17,-10.64,;25.51,-11.41,;22.84,-11.41,;21.5,-10.64,;20.04,-11.12,)|
Show InChI InChI=1S/C25H30BrN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3/t18-,22-,23+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production


Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193626
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-p-tolylacr...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(C)cc3)ccc2n1
Show InChI InChI=1S/C22H23N3O/c1-3-4-17-14-20(23)19-13-18(10-11-21(19)24-17)25-22(26)12-9-16-7-5-15(2)6-8-16/h5-14H,3-4H2,1-2H3,(H2,23,24)(H,25,26)/b12-9+
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n/an/an/an/a 71n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193622
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-(methyl...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(SC)cc3)ccc2n1
Show InChI InChI=1S/C22H23N3OS/c1-3-4-16-14-20(23)19-13-17(8-11-21(19)24-16)25-22(26)12-7-15-5-9-18(27-2)10-6-15/h5-14H,3-4H2,1-2H3,(H2,23,24)(H,25,26)/b12-7+
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n/an/an/an/a 71n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193606
PNG
(CHEMBL385957 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H22ClN3O/c1-2-3-20-15-23(27)22-14-21(12-13-24(22)28-20)29-25(30)18-6-4-16(5-7-18)17-8-10-19(26)11-9-17/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30)
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n/an/an/an/a 75n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193605
PNG
((E)-N-(4-amino-2-pentylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES CCCCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-2-3-4-5-18-15-21(28)20-14-19(11-12-22(20)29-18)30-23(31)13-8-16-6-9-17(10-7-16)24(25,26)27/h6-15H,2-5H2,1H3,(H2,28,29)(H,30,31)/b13-8+
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n/an/an/an/a 90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241093
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-bromoph...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Br)cc3)ccc2n1
Show InChI InChI=1S/C21H20BrN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/an/an/a 93n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193615
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorop...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C21H20ClN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/an/an/a 96n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193635
PNG
((E)-N-(4-amino-2-cyclohexylquinolin-6-yl)-3-(4-(tr...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCCCC1
Show InChI InChI=1S/C25H24F3N3O/c26-25(27,28)18-9-6-16(7-10-18)8-13-24(32)30-19-11-12-22-20(14-19)21(29)15-23(31-22)17-4-2-1-3-5-17/h6-15,17H,1-5H2,(H2,29,31)(H,30,32)/b13-8+
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n/an/an/an/a 96n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193617
PNG
((E)-N-(4-amino-2-neopentylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CC(C)(C)Cc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-23(2,3)14-18-13-20(28)19-12-17(9-10-21(19)29-18)30-22(31)11-6-15-4-7-16(8-5-15)24(25,26)27/h4-13H,14H2,1-3H3,(H2,28,29)(H,30,31)/b11-6+
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193636
PNG
((E)-N-(4-amino-2-ethylquinolin-6-yl)-3-(4-(trifluo...)
Show SMILES CCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H18F3N3O/c1-2-15-12-18(25)17-11-16(8-9-19(17)26-15)27-20(28)10-5-13-3-6-14(7-4-13)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26)(H,27,28)/b10-5+
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193651
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(biphenyl-...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C27H25N3O/c1-2-6-22-18-25(28)24-17-23(14-15-26(24)29-22)30-27(31)16-11-19-9-12-21(13-10-19)20-7-4-3-5-8-20/h3-5,7-18H,2,6H2,1H3,(H2,28,29)(H,30,31)/b16-11+
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n/an/an/an/a 118n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193624
PNG
(CHEMBL424721 | N-(4-amino-2-propylquinolin-6-yl)-3...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H22F3N3O/c1-2-3-16-13-19(26)18-12-17(9-10-20(18)27-16)28-21(29)11-6-14-4-7-15(8-5-14)22(23,24)25/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H2,26,27)(H,28,29)
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/an/an/a 129n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/an/an/a 129n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193649
PNG
((E)-N-(4-amino-2-methylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)16-11-15(7-8-18(16)25-12)26-19(27)9-4-13-2-5-14(6-3-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-4+
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193647
PNG
((E)-N-(4-(methylamino)-2-propylquinolin-6-yl)-3-(4...)
Show SMILES CCCc1cc(NC)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-3-4-17-14-21(27-2)19-13-18(10-11-20(19)28-17)29-22(30)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,3-4H2,1-2H3,(H,27,28)(H,29,30)/b12-7+
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193641
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-ethylph...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(CC)cc3)ccc2n1
Show InChI InChI=1S/C23H25N3O/c1-3-5-18-15-21(24)20-14-19(11-12-22(20)25-18)26-23(27)13-10-17-8-6-16(4-2)7-9-17/h6-15H,3-5H2,1-2H3,(H2,24,25)(H,26,27)/b13-10+
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n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193613
PNG
((E)-N-(4-amino-2-isopropylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CC(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H20F3N3O/c1-13(2)20-12-18(26)17-11-16(8-9-19(17)28-20)27-21(29)10-5-14-3-6-15(7-4-14)22(23,24)25/h3-13H,1-2H3,(H2,26,28)(H,27,29)/b10-5+
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n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50371873
PNG
(CHEMBL403730)
Show SMILES CC(C)C(=O)Nc1cccc(CCCN2CCC(CC2)n2c(C)nc3cc(C)ccc23)c1
Show InChI InChI=1S/C27H36N4O/c1-19(2)27(32)29-23-9-5-7-22(18-23)8-6-14-30-15-12-24(13-16-30)31-21(4)28-25-17-20(3)10-11-26(25)31/h5,7,9-11,17-19,24H,6,8,12-16H2,1-4H3,(H,29,32)
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n/an/an/an/a 175n/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 by cAMP assay


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193609
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-fluorop...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(F)cc3)ccc2n1
Show InChI InChI=1S/C21H20FN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193653
PNG
((E)-N-(4-amino-2-butylquinolin-6-yl)-3-(4-(trifluo...)
Show SMILES CCCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-2-3-4-17-14-20(27)19-13-18(10-11-21(19)28-17)29-22(30)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,2-4H2,1H3,(H2,27,28)(H,29,30)/b12-7+
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193620
PNG
((E)-N-(4-amino-2-cyclobutylquinolin-6-yl)-3-(4-(tr...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCC1
Show InChI InChI=1S/C23H20F3N3O/c24-23(25,26)16-7-4-14(5-8-16)6-11-22(30)28-17-9-10-20-18(12-17)19(27)13-21(29-20)15-2-1-3-15/h4-13,15H,1-3H2,(H2,27,29)(H,28,30)/b11-6+
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193608
PNG
((E)-N-(4-(cyclobutylamino)-2-propylquinolin-6-yl)-...)
Show SMILES CCCc1cc(NC2CCC2)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H26F3N3O/c1-2-4-20-16-24(30-19-5-3-6-19)22-15-21(12-13-23(22)31-20)32-25(33)14-9-17-7-10-18(11-8-17)26(27,28)29/h7-16,19H,2-6H2,1H3,(H,30,31)(H,32,33)/b14-9+
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n/an/an/an/a 270n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193630
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-iodophe...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(I)cc3)ccc2n1
Show InChI InChI=1S/C21H20IN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/an/an/a 280n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193611
PNG
((E)-N-(4-(dimethylamino)-2-propylquinolin-6-yl)-3-...)
Show SMILES CCCc1cc(N(C)C)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-4-5-18-15-22(30(2)3)20-14-19(11-12-21(20)28-18)29-23(31)13-8-16-6-9-17(10-7-16)24(25,26)27/h6-15H,4-5H2,1-3H3,(H,29,31)/b13-8+
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
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