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Compile Data Set for Download or QSAR

Found 409 hits from Dr. Reddy's Laboratories Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350429
PNG
(CHEMBL1814154)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22BrCl2N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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n/an/a 0.100n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350447
PNG
(CHEMBL1814329)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H15Cl3F3N5O2/c1-11-17(19(35)31-22(8-9-22)20-30-21(36-33-20)23(27,28)29)32-34(16-7-6-14(25)10-15(16)26)18(11)12-2-4-13(24)5-3-12/h2-7,10H,8-9H2,1H3,(H,31,35)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350458
PNG
(CHEMBL1814333)
Show SMILES OCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H15Cl3F3N5O3/c24-12-3-1-11(2-4-12)18-14(10-35)17(32-34(18)16-6-5-13(25)9-15(16)26)19(36)31-22(7-8-22)20-30-21(37-33-20)23(27,28)29/h1-6,9,35H,7-8,10H2,(H,31,36)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350449
PNG
(CHEMBL1814331)
Show SMILES CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O3/c1-22(2,20-30-21(37-33-20)23(27,28)29)31-19(36)17-14(10-35)18(11-3-5-12(24)6-4-11)34(32-17)16-8-7-13(25)9-15(16)26/h3-9,35H,10H2,1-2H3,(H,31,36)
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n/an/a 0.400n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350428
PNG
(CHEMBL1814153)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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n/an/a 0.5n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325971
PNG
(CHEMBL1224229 | N-(3-(1-(4-(1-(4-fluorophenyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCCc2nc3ccccc3n2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36)
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n/an/a 0.600n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350448
PNG
(CHEMBL1814330)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CCC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H17Cl3F3N5O2/c1-12-18(20(36)32-23(9-2-10-23)21-31-22(37-34-21)24(28,29)30)33-35(17-8-7-15(26)11-16(17)27)19(12)13-3-5-14(25)6-4-13/h3-8,11H,2,9-10H2,1H3,(H,32,36)
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n/an/a 0.800n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350450
PNG
(CHEMBL1814335)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C25H17Cl3F3N5O4/c1-2-39-21(38)17-18(20(37)33-24(9-10-24)22-32-23(40-35-22)25(29,30)31)34-36(16-8-7-14(27)11-15(16)28)19(17)12-3-5-13(26)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350430
PNG
(CHEMBL1814155)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C25H27Cl2N7O4S/c1-6-13-39(36,37)38-18-10-7-16(8-11-18)22-15(2)21(30-34(22)20-12-9-17(26)14-19(20)27)23(35)28-25(3,4)24-29-31-32-33(24)5/h7-12,14H,6,13H2,1-5H3,(H,28,35)
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n/an/a 1.10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350436
PNG
(CHEMBL1814316)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl3F3N4OS/c1-12-19(21(35)32-23(2,3)22-31-18(11-36-22)24(28,29)30)33-34(17-9-8-15(26)10-16(17)27)20(12)13-4-6-14(25)7-5-13/h4-11H,1-3H3,(H,32,35)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325950
PNG
(CHEMBL1223770 | N-(3-(1-(3-(1-(4-fluorophenyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H32FN5O/c1-21(36)32-25-7-4-6-23(20-25)22-14-18-34(19-15-22)17-5-16-31-29-33-27-8-2-3-9-28(27)35(29)26-12-10-24(30)11-13-26/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,33)(H,32,36)
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n/an/a 2n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381374
PNG
(CHEMBL2016724)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H28F3N5O4/c1-16-22-14-19(32-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)34-26(31-16)35-12-10-17(11-13-35)25(37)33-18-2-3-18/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,36)(H,33,37)
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n/an/a 3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350452
PNG
(CHEMBL1814338)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-17-18(20(36)33-23(2,3)21-32-22(37-34-21)24(28,29)30)31-19(15-10-7-13(26)11-16(15)27)35(17)14-8-5-12(25)6-9-14/h5-11H,4H2,1-3H3,(H,33,36)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350444
PNG
(CHEMBL1814326)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)31-22(2,3)20-30-21(36-33-20)23(27,28)29)32-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,31,35)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325971
PNG
(CHEMBL1224229 | N-(3-(1-(4-(1-(4-fluorophenyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCCc2nc3ccccc3n2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHOK1 cells assessed as reduction in [3H]inositol phosphate levels by scintillation proxi...


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381379
PNG
(CHEMBL2016730)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H31ClN6O3/c1-16(2)28-26(35)31-19-10-12-33(13-11-19)25-29-17(3)22-14-20(6-9-23(22)32-25)30-24(34)15-36-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,30,34)(H2,28,31,35)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381362
PNG
(CHEMBL2016776)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350456
PNG
(CHEMBL1814332)
Show SMILES COCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O3/c1-23(2,21-31-22(38-34-21)24(28,29)30)32-20(36)18-15(11-37-3)19(12-4-6-13(25)7-5-12)35(33-18)17-9-8-14(26)10-16(17)27/h4-10H,11H2,1-3H3,(H,32,36)
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325976
PNG
(CHEMBL1224306 | N-(3-(1-(4,4-difluoro-4-(1-(4-fluo...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCC(F)(F)c2nc3ccccc3n2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H31F3N4O/c1-21(38)34-25-7-4-6-23(20-25)22-14-18-36(19-15-22)17-5-16-30(32,33)29-35-27-8-2-3-9-28(27)37(29)26-12-10-24(31)11-13-26/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,34,38)
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381517
PNG
(CHEMBL2017748)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350432
PNG
(CHEMBL1814157)
Show SMILES CCc1c(nn(c1-c1ccc(OC)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34)
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n/an/a 5n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381530
PNG
(CHEMBL2017761)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C26H26F3N5O4/c1-16-21-14-19(32-23(36)9-4-17-2-6-20(7-3-17)38-26(27,28)29)5-8-22(21)33-25(30-16)34-12-10-18(11-13-34)31-24(37)15-35/h2-9,14,18,35H,10-13,15H2,1H3,(H,31,37)(H,32,36)/b9-4+
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350446
PNG
(CHEMBL1814328)
Show SMILES CCC(C)(NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-23(3,21-31-22(37-34-21)24(28,29)30)32-20(36)18-12(2)19(13-5-7-14(25)8-6-13)35(33-18)17-10-9-15(26)11-16(17)27/h5-11H,4H2,1-3H3,(H,32,36)
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350445
PNG
(CHEMBL1814327)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)30-22(2,3)20-31-32-21(36-20)23(27,28)29)33-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,30,35)
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381383
PNG
(CHEMBL2016775)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-10-8-20(9-11-35)34-12-14-37-15-13-34/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381343
PNG
(CHEMBL2016704)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-12-10-34(11-13-35)20-8-14-37-15-9-20/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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n/an/a 7n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381379
PNG
(CHEMBL2016730)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H31ClN6O3/c1-16(2)28-26(35)31-19-10-12-33(13-11-19)25-29-17(3)22-14-20(6-9-23(22)32-25)30-24(34)15-36-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,30,34)(H2,28,31,35)
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n/an/a 7n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325952
PNG
(CHEMBL1223829 | N-(3-(1-(3-(1-(4-chlorobenzyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C30H34ClN5O/c1-22(37)33-27-7-4-6-25(20-27)24-14-18-35(19-15-24)17-5-16-32-30-34-28-8-2-3-9-29(28)36(30)21-23-10-12-26(31)13-11-23/h2-4,6-13,20,24H,5,14-19,21H2,1H3,(H,32,34)(H,33,37)
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n/an/a 8n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381360
PNG
(CHEMBL2016722)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C27H30F3N5O4/c1-16(2)31-25(37)18-10-12-35(13-11-18)26-32-17(3)22-14-19(4-9-23(22)34-26)33-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,31,37)(H,33,36)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325979
PNG
(6-(1-(4-(1-(4-fluorophenyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Fc1ccc(cc1)-n1c(CCCCN2CCC(CC2)c2ccc3CC(=O)Nc3c2)nc2ccccc12
Show InChI InChI=1S/C30H31FN4O/c31-24-10-12-25(13-11-24)35-28-6-2-1-5-26(28)32-29(35)7-3-4-16-34-17-14-21(15-18-34)22-8-9-23-20-30(36)33-27(23)19-22/h1-2,5-6,8-13,19,21H,3-4,7,14-18,20H2,(H,33,36)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHOK1 cells assessed as reduction in [3H]inositol phosphate levels by scintillation proxi...


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325979
PNG
(6-(1-(4-(1-(4-fluorophenyl)-1H-benzo[d]imidazol-2-...)
Show SMILES Fc1ccc(cc1)-n1c(CCCCN2CCC(CC2)c2ccc3CC(=O)Nc3c2)nc2ccccc12
Show InChI InChI=1S/C30H31FN4O/c31-24-10-12-25(13-11-24)35-28-6-2-1-5-26(28)32-29(35)7-3-4-16-34-17-14-21(15-18-34)22-8-9-23-20-30(36)33-27(23)19-22/h1-2,5-6,8-13,19,21H,3-4,7,14-18,20H2,(H,33,36)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381374
PNG
(CHEMBL2016724)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H28F3N5O4/c1-16-22-14-19(32-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)34-26(31-16)35-12-10-17(11-13-35)25(37)33-18-2-3-18/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,36)(H,33,37)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381375
PNG
(CHEMBL2016726)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-22-14-19(32-24(35)15-37-20-5-7-21(8-6-20)38-27(28,29)30)4-9-23(22)33-26(31-16)34-12-10-18(11-13-34)25(36)17-2-3-17/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,35)
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n/an/a 10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350457
PNG
(CHEMBL1814318)
Show SMILES CCOC(=O)Cc1csc(n1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl3N4O3S/c1-5-37-22(35)13-19-14-38-26(31-19)27(3,4)32-25(36)23-15(2)24(16-6-8-17(28)9-7-16)34(33-23)21-11-10-18(29)12-20(21)30/h6-12,14H,5,13H2,1-4H3,(H,32,36)
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n/an/a 10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325967
PNG
(CHEMBL1224152 | N-(3-(1-(3-(1-(4-fluorophenyl)-1H-...)
Show SMILES Fc1ccc(cc1)-n1c(NCCCN2CCC(CC2)c2cccc(NC(=O)C3CC3)c2)nc2ccccc12
Show InChI InChI=1S/C31H34FN5O/c32-25-11-13-27(14-12-25)37-29-8-2-1-7-28(29)35-31(37)33-17-4-18-36-19-15-22(16-20-36)24-5-3-6-26(21-24)34-30(38)23-9-10-23/h1-3,5-8,11-14,21-23H,4,9-10,15-20H2,(H,33,35)(H,34,38)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381510
PNG
(CHEMBL2017741)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+
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n/an/a 10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381513
PNG
(CHEMBL2017744)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+
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n/an/a 11n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350440
PNG
(CHEMBL1814322)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2ccsc2n1
Show InChI InChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34)
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n/an/a 11n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325944
PNG
(CHEMBL1223708 | N-(3-(1-(3-(1-(4-chlorophenyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H32ClN5O/c1-21(36)32-25-7-4-6-23(20-25)22-14-18-34(19-15-22)17-5-16-31-29-33-27-8-2-3-9-28(27)35(29)26-12-10-24(30)11-13-26/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,33)(H,32,36)
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n/an/a 11n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350438
PNG
(CHEMBL1814320)
Show SMILES Cc1ncc(s1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32)
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n/an/a 12n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381513
PNG
(CHEMBL2017744)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+
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n/an/a 12n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381510
PNG
(CHEMBL2017741)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+
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n/an/a 13n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50350454
PNG
(CHEMBL1814340)
Show SMILES CC(C)(NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H15Cl3F3N5O2/c1-21(2,19-31-32-20(35-19)22(26,27)28)30-18(34)15-10-33(16-8-7-13(24)9-14(16)25)17(29-15)11-3-5-12(23)6-4-11/h3-10H,1-2H3,(H,30,34)
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n/an/a 13n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50325975
PNG
(CHEMBL1224305 | N-(3-(1-(4-(1-(4-fluorophenyl)-1H-...)
Show SMILES CC(=O)Nc1cccc(c1)C1CCN(CCCC(=O)c2nc3ccccc3n2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H31FN4O2/c1-21(36)32-25-7-4-6-23(20-25)22-15-18-34(19-16-22)17-5-10-29(37)30-33-27-8-2-3-9-28(27)35(30)26-13-11-24(31)12-14-26/h2-4,6-9,11-14,20,22H,5,10,15-19H2,1H3,(H,32,36)
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n/an/a 13n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5443-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.086
BindingDB Entry DOI: 10.7270/Q2J38SSG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381511
PNG
(CHEMBL2017742)
Show SMILES Cc1nc(nc2ccc(NC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1=O
Show InChI InChI=1S/C28H28F3N5O4/c1-18-23-16-20(33-25(37)9-4-19-2-6-22(7-3-19)40-28(29,30)31)5-8-24(23)34-27(32-18)35-12-10-21(11-13-35)36-14-15-39-17-26(36)38/h2-9,16,21H,10-15,17H2,1H3,(H,33,37)
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n/an/a 13n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381531
PNG
(CHEMBL2017762)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-20(33-24(36)10-5-18-3-7-21(8-4-18)39-27(28,29)30)6-9-23(22)34-26(31-17)35-13-11-19(12-14-35)32-25(37)16-38-2/h3-10,15,19H,11-14,16H2,1-2H3,(H,32,37)(H,33,36)/b10-5+
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381375
PNG
(CHEMBL2016726)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-22-14-19(32-24(35)15-37-20-5-7-21(8-6-20)38-27(28,29)30)4-9-23(22)33-26(31-16)34-12-10-18(11-13-34)25(36)17-2-3-17/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,35)
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381527
PNG
(CHEMBL2017757)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C24H26ClN5O3S/c1-16-21-15-20(27-23(31)10-5-17-3-6-18(25)7-4-17)8-9-22(21)28-24(26-16)30-13-11-19(12-14-30)29-34(2,32)33/h3-10,15,19,29H,11-14H2,1-2H3,(H,27,31)/b10-5+
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50381512
PNG
(CHEMBL2017743)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCCC1=O
Show InChI InChI=1S/C29H30F3N5O3/c1-19-24-18-21(34-26(38)12-7-20-5-9-23(10-6-20)40-29(30,31)32)8-11-25(24)35-28(33-19)36-16-13-22(14-17-36)37-15-3-2-4-27(37)39/h5-12,18,22H,2-4,13-17H2,1H3,(H,34,38)/b12-7+
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n/an/a 15n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
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