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Compile Data Set for Download or QSAR

Found 408 hits with Last Name = 'sorota' and Initial = 's'   
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


(Homo sapiens (Human))
BDBM50215615
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC1CC[C@@H](CO)N1CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1 |w:16.18,1.0|
Show InChI InChI=1S/C28H33Cl2N5O2/c1-18-5-6-24(17-36)34(18)9-10-35(27(37)32-22-13-25(29)33-26(30)14-22)23-7-8-28(15-21(28)12-23)20-4-2-3-19(11-20)16-31/h2-4,11,13-14,18,21,23-24,36H,5-10,12,15,17H2,1H3,(H,32,33,37)/t18?,21?,23-,24+,28-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215583
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1)[C@@H](C)CO |w:12.13|
Show InChI InChI=1S/C28H35Cl2N5O2/c1-18(2)34(19(3)17-36)9-10-35(27(37)32-23-13-25(29)33-26(30)14-23)24-7-8-28(15-22(28)12-24)21-6-4-5-20(11-21)16-31/h4-6,11,13-14,18-19,22,24,36H,7-10,12,15,17H2,1-3H3,(H,32,33,37)/t19-,22?,24+,28+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215655
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCO)CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1 |w:15.16|
Show InChI InChI=1S/C27H33Cl2N5O2/c1-18(2)33(10-11-35)8-9-34(26(36)31-22-14-24(28)32-25(29)15-22)23-6-7-27(16-21(27)13-23)20-5-3-4-19(12-20)17-30/h3-5,12,14-15,18,21,23,35H,6-11,13,16H2,1-2H3,(H,31,32,36)/t21?,23-,27-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215645
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)NCCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1 |w:12.13|
Show InChI InChI=1S/C25H29Cl2N5O/c1-16(2)29-8-9-32(24(33)30-20-12-22(26)31-23(27)13-20)21-6-7-25(14-19(25)11-21)18-5-3-4-17(10-18)15-28/h3-5,10,12-13,16,19,21,29H,6-9,11,14H2,1-2H3,(H,30,31,33)/t19?,21-,25-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184935
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccnc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50314290
PNG
(3-benzyl-1-(4-bromophenyl)-1-(1-(pyridin-4-ylmethy...)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccncc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H27BrN4O/c26-22-6-8-23(9-7-22)30(25(31)28-18-20-4-2-1-3-5-20)24-12-16-29(17-13-24)19-21-10-14-27-15-11-21/h1-11,14-15,24H,12-13,16-19H2,(H,28,31)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine 3 receptor


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215607
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C28H35Cl2N5O/c1-18(2)34(19(3)4)10-11-35(27(36)32-23-14-25(29)33-26(30)15-23)24-8-9-28(16-22(28)13-24)21-7-5-6-20(12-21)17-31/h5-7,12,14-15,18-19,22,24H,8-11,13,16H2,1-4H3,(H,32,33,36)/t22?,24-,28-/m1/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215579
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(F)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37FN4O/c1-20(2)33(21(3)4)13-14-34(28(35)32-26-10-6-9-25(30)17-26)27-11-12-29(18-24(29)16-27)23-8-5-7-22(15-23)19-31/h5-10,15,17,20-21,24,27H,11-14,16,18H2,1-4H3,(H,32,35)/t24?,27-,29-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215575
PNG
(1-((3R,6S)-6-(3-(aminomethyl)phenyl)bicyclo[4.1.0]...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(CN)c1)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H40ClFN4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-27(31)26(30)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17-18,32H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215581
PNG
(1-((3R,6S)-6-(3-(aminomethyl)phenyl)bicyclo[4.1.0]...)
Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(CN)c2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 |w:15.16|
Show InChI InChI=1S/C27H35Cl2N5O3S/c1-38(36,37)33-9-6-18(7-10-33)17-34(26(35)31-22-13-24(28)32-25(29)14-22)23-5-8-27(15-21(27)12-23)20-4-2-3-19(11-20)16-30/h2-4,11,13-14,18,21,23H,5-10,12,15-17,30H2,1H3,(H,31,32,35)/t21?,23-,27-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215607
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C28H35Cl2N5O/c1-18(2)34(19(3)4)10-11-35(27(36)32-23-14-25(29)33-26(30)15-23)24-8-9-28(16-22(28)13-24)21-7-5-6-20(12-21)17-31/h5-7,12,14-15,18-19,22,24H,8-11,13,16H2,1-4H3,(H,32,33,36)/t22?,24-,28-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184923
PNG
(1-((1S,2R,5S)-5-(3-acetamidophenyl)bicyclo[3.1.0]h...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(C)=O)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-3-5-21(17-22)29-10-9-27(24(29)19-29)36(12-4-11-35-15-13-34(2)14-16-35)28(38)33-23-7-8-26(31)25(30)18-23/h3,5-8,17-18,24,27H,4,9-16,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188320
PNG
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(4-flu...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H33ClF2N4O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(30)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(29)6-4-19/h3-8,17,22,25H,2,9-16,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215629
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)[N+]([O-])=O)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37N5O3/c1-20(2)32(21(3)4)13-14-33(28(35)31-25-9-6-10-27(17-25)34(36)37)26-11-12-29(18-24(29)16-26)23-8-5-7-22(15-23)19-30/h5-10,15,17,20-21,24,26H,11-14,16,18H2,1-4H3,(H,31,35)/t24?,26-,29-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188334
PNG
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-met...)
Show SMILES COc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H36ClFN4O2/c1-32-13-15-33(16-14-32)11-4-12-34(27(35)31-21-7-8-25(30)24(29)18-21)26-9-10-28(19-23(26)28)20-5-3-6-22(17-20)36-2/h3,5-8,17-18,23,26H,4,9-16,19H2,1-2H3,(H,31,35)/t23-,26-,28-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184924
PNG
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215578
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(F)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H36F2N4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-26(30)27(31)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50314288
PNG
(1-(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)-...)
Show SMILES Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C25H27ClFN5O/c26-20-3-7-22(8-4-20)32(25(33)30-16-18-1-5-21(27)6-2-18)23-10-13-31(14-11-23)17-19-9-12-29-24(28)15-19/h1-9,12,15,23H,10-11,13-14,16-17H2,(H2,28,29)(H,30,33)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine 3 receptor


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188316
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CCC(=O)Nc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C30H39ClFN5O2/c1-3-28(38)33-22-7-4-6-21(18-22)30-11-10-27(24(30)20-30)37(13-5-12-36-16-14-35(2)15-17-36)29(39)34-23-8-9-26(32)25(31)19-23/h4,6-9,18-19,24,27H,3,5,10-17,20H2,1-2H3,(H,33,38)(H,34,39)/t24-,27-,30-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215613
PNG
(3-(2,6-dichloropyridin-4-yl)-1-((3R,6S)-6-(3-((dim...)
Show SMILES CN(C)Cc1cccc(c1)[C@@]12CC1C[C@@H](CC2)N(CC1CCN(CC1)S(C)(=O)=O)C(=O)Nc1cc(Cl)nc(Cl)c1 |w:12.12|
Show InChI InChI=1S/C29H39Cl2N5O3S/c1-34(2)18-21-5-4-6-22(13-21)29-10-7-25(14-23(29)17-29)36(19-20-8-11-35(12-9-20)40(3,38)39)28(37)32-24-15-26(30)33-27(31)16-24/h4-6,13,15-16,20,23,25H,7-12,14,17-19H2,1-3H3,(H,32,33,37)/t23?,25-,29-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50217060
PNG
(1-((1S,2S,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyc...)
Show SMILES C[C@H]1CN(CCCN([C@H]2CC[C@@]3(C[C@H]23)c2cnc(CN)s2)C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H](C)CN1
Show InChI InChI=1S/C25H35Cl2N7OS/c1-15-14-33(16(2)12-29-15)6-3-7-34(24(35)31-17-8-21(26)32-22(27)9-17)19-4-5-25(10-18(19)25)20-13-30-23(11-28)36-20/h8-9,13,15-16,18-19,29H,3-7,10-12,14,28H2,1-2H3,(H,31,32,35)/t15-,16+,18+,19-,25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1


Bioorg Med Chem Lett 17: 4845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.048
BindingDB Entry DOI: 10.7270/Q2V69J9H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215614
PNG
(3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino...)
Show SMILES CO\N=C\c1cccc(c1)[C@@]12CC1C[C@@H](CC2)N(CCN(C(C)C)C(C)C)C(=O)Nc1ccc(F)c(Cl)c1 |w:12.14|
Show InChI InChI=1S/C30H40ClFN4O2/c1-20(2)35(21(3)4)13-14-36(29(37)34-25-9-10-28(32)27(31)17-25)26-11-12-30(18-24(30)16-26)23-8-6-7-22(15-23)19-33-38-5/h6-10,15,17,19-21,24,26H,11-14,16,18H2,1-5H3,(H,34,37)/b33-19+/t24?,26-,30-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215596
PNG
(3-(3-chloro-4-fluorophenyl)-1-(4-(5-cyanothiophen-...)
Show SMILES Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2ccc(s2)C#N)cc1Cl |w:16.16,c:20|
Show InChI InChI=1S/C24H26ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14H2,(H,28,31)
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4.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188318
PNG
(1-((1S,2R,5S)-5-(4-aminophenyl)bicyclo[3.1.0]hexan...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(N)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H35ClFN5O/c1-32-13-15-33(16-14-32)11-2-12-34(26(35)31-21-7-8-24(29)23(28)17-21)25-9-10-27(18-22(25)27)19-3-5-20(30)6-4-19/h3-8,17,22,25H,2,9-16,18,30H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215640
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES FCCNCCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(Cl)nc(Cl)c1 |w:12.13|
Show InChI InChI=1S/C24H26Cl2FN5O/c25-21-12-19(13-22(26)31-21)30-23(33)32(9-8-29-7-6-27)20-4-5-24(14-18(24)11-20)17-3-1-2-16(10-17)15-28/h1-3,10,12-13,18,20,29H,4-9,11,14H2,(H,30,31,33)/t18?,20-,24-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215650
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cc(F)cc(F)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H36F2N4O/c1-19(2)34(20(3)4)10-11-35(28(36)33-26-15-24(30)14-25(31)16-26)27-8-9-29(17-23(29)13-27)22-7-5-6-21(12-22)18-32/h5-7,12,14-16,19-20,23,27H,8-11,13,17H2,1-4H3,(H,33,36)/t23?,27-,29-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188329
PNG
(1-((1S,2R,5S)-5-(4-acetamidophenyl)bicyclo[3.1.0]h...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(NC(C)=O)cc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C29H37ClFN5O2/c1-20(37)32-22-6-4-21(5-7-22)29-11-10-27(24(29)19-29)36(13-3-12-35-16-14-34(2)15-17-35)28(38)33-23-8-9-26(31)25(30)18-23/h4-9,18,24,27H,3,10-17,19H2,1-2H3,(H,32,37)(H,33,38)/t24-,27-,29-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215611
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H36ClFN4O/c1-19(2)34(20(3)4)12-13-35(28(36)33-24-8-9-27(31)26(30)16-24)25-10-11-29(17-23(29)15-25)22-7-5-6-21(14-22)18-32/h5-9,14,16,19-20,23,25H,10-13,15,17H2,1-4H3,(H,33,36)/t23?,25-,29-/m1/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215634
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C)CO |w:12.13|
Show InChI InChI=1S/C29H36ClFN4O2/c1-19(2)34(20(3)18-36)11-12-35(28(37)33-24-7-8-27(31)26(30)15-24)25-9-10-29(16-23(29)14-25)22-6-4-5-21(13-22)17-32/h4-8,13,15,19-20,23,25,36H,9-12,14,16,18H2,1-3H3,(H,33,37)/t20-,23?,25+,29+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215610
PNG
(1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(F)c2)CC1 |w:15.16|
Show InChI InChI=1S/C28H32F2N4O3S/c1-38(36,37)33-11-8-19(9-12-33)18-34(27(35)32-23-5-6-25(29)26(30)15-23)24-7-10-28(16-22(28)14-24)21-4-2-3-20(13-21)17-31/h2-6,13,15,19,22,24H,7-12,14,16,18H2,1H3,(H,32,35)/t22?,24-,28-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188317
PNG
(CHEMBL212922 | methyl 4-((1R,4S,5R)-4-(3-(4-fluoro...)
Show SMILES COC(=O)c1ccc(cc1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H36F4N4O3/c1-36-14-16-37(17-15-36)12-3-13-38(28(40)35-22-8-9-25(31)23(18-22)30(32,33)34)26-10-11-29(19-24(26)29)21-6-4-20(5-7-21)27(39)41-2/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,35,40)/t24-,26-,29-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215591
PNG
(3-(3-bromophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicy...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(Br)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37BrN4O/c1-20(2)33(21(3)4)13-14-34(28(35)32-26-10-6-9-25(30)17-26)27-11-12-29(18-24(29)16-27)23-8-5-7-22(15-23)19-31/h5-10,15,17,20-21,24,27H,11-14,16,18H2,1-4H3,(H,32,35)/t24?,27-,29-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215609
PNG
(3-(3-chlorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bic...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(Cl)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C29H37ClN4O/c1-20(2)33(21(3)4)13-14-34(28(35)32-26-10-6-9-25(30)17-26)27-11-12-29(18-24(29)16-27)23-8-5-7-22(15-23)19-31/h5-10,15,17,20-21,24,27H,11-14,16,18H2,1-4H3,(H,32,35)/t24?,27-,29-/m1/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50217070
PNG
(1-((1S,2S,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyc...)
Show SMILES C[C@@H]1CN(CCCN([C@H]2CC[C@@]3(C[C@H]23)c2cnc(CN)s2)C(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H](C)CN1
Show InChI InChI=1S/C25H35Cl2N7OS/c1-15-14-33(16(2)12-29-15)6-3-7-34(24(35)31-17-8-21(26)32-22(27)9-17)19-4-5-25(10-18(19)25)20-13-30-23(11-28)36-20/h8-9,13,15-16,18-19,29H,3-7,10-12,14,28H2,1-2H3,(H,31,32,35)/t15-,16+,18-,19+,25+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1


Bioorg Med Chem Lett 17: 4845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.048
BindingDB Entry DOI: 10.7270/Q2V69J9H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50217066
PNG
(1-((1S,2S,5S)-5-(2-(aminomethyl)thiazol-5-yl)bicyc...)
Show SMILES NCc1ncc(s1)[C@@]12C[C@@H]1[C@H](CC2)N(CCCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N5O2S/c26-19-3-2-15(10-17(19)25(27,28)29)32-23(36)34(8-1-7-33-9-5-16(35)14-33)20-4-6-24(11-18(20)24)21-13-31-22(12-30)37-21/h2-3,10,13,16,18,20,35H,1,4-9,11-12,14,30H2,(H,32,36)/t16-,18-,20+,24+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1


Bioorg Med Chem Lett 17: 4845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.048
BindingDB Entry DOI: 10.7270/Q2V69J9H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188321
PNG
(3-(3-chloro-4-fluorophenyl)-1-((1S,2R,5S)-5-(3-(cy...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(NC(=O)C3CC3)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C31H39ClFN5O2/c1-36-14-16-37(17-15-36)12-3-13-38(30(40)35-24-8-9-27(33)26(32)19-24)28-10-11-31(20-25(28)31)22-4-2-5-23(18-22)34-29(39)21-6-7-21/h2,4-5,8-9,18-19,21,25,28H,3,6-7,10-17,20H2,1H3,(H,34,39)(H,35,40)/t25-,28-,31-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50314296
PNG
(1-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-3-(4-...)
Show SMILES CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClFN3O/c1-2-25-13-11-20(12-14-25)26(19-9-5-17(22)6-10-19)21(27)24-15-16-3-7-18(23)8-4-16/h3-10,20H,2,11-15H2,1H3,(H,24,27)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine 3 receptor


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215605
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES OC[C@@H]1CCCN1CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1 |w:15.17|
Show InChI InChI=1S/C28H32ClFN4O2/c29-25-15-22(6-7-26(25)30)32-27(36)34(12-11-33-10-2-5-24(33)18-35)23-8-9-28(16-21(28)14-23)20-4-1-3-19(13-20)17-31/h1,3-4,6-7,13,15,21,23-24,35H,2,5,8-12,14,16,18H2,(H,32,36)/t21?,23-,24+,28-/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50314294
PNG
(1-(4-bromophenyl)-1-(1-cyclopentylpiperidin-4-yl)-...)
Show SMILES Fc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H29BrFN3O/c25-19-7-11-22(12-8-19)29(24(30)27-17-18-5-9-20(26)10-6-18)23-13-15-28(16-14-23)21-3-1-2-4-21/h5-12,21,23H,1-4,13-17H2,(H,27,30)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine 3 receptor


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215641
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 |w:15.16|
Show InChI InChI=1S/C28H32ClFN4O3S/c1-38(36,37)33-11-8-19(9-12-33)18-34(27(35)32-23-5-6-26(30)25(29)15-23)24-7-10-28(16-22(28)14-24)21-4-2-3-20(13-21)17-31/h2-6,13,15,19,22,24H,7-12,14,16,18H2,1H3,(H,32,35)/t22?,24-,28-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215636
PNG
(3-(3-cyanophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicy...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1cccc(c1)C#N)C(C)C |w:12.13|
Show InChI InChI=1S/C30H37N5O/c1-21(2)34(22(3)4)13-14-35(29(36)33-27-10-6-8-24(16-27)20-32)28-11-12-30(18-26(30)17-28)25-9-5-7-23(15-25)19-31/h5-10,15-16,21-22,26,28H,11-14,17-18H2,1-4H3,(H,33,36)/t26?,28-,30-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215651
PNG
(1-((3R,6S)-6-(3-bromophenyl)bicyclo[4.1.0]heptan-3...)
Show SMILES CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(Br)c1)C(=O)Nc1ccc(F)c(F)c1)C(C)C |w:12.13|
Show InChI InChI=1S/C28H36BrF2N3O/c1-18(2)33(19(3)4)12-13-34(27(35)32-23-8-9-25(30)26(31)16-23)24-10-11-28(17-21(28)15-24)20-6-5-7-22(29)14-20/h5-9,14,16,18-19,21,24H,10-13,15,17H2,1-4H3,(H,32,35)/t21?,24-,28-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215593
PNG
(1-(4-(5-(aminomethyl)thiophen-2-yl)cyclohex-3-enyl...)
Show SMILES NCc1ccc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 |w:10.14,t:8|
Show InChI InChI=1S/C24H30ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14,16,27H2,(H,28,31)
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8.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188315
PNG
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-met...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)S(C)(=O)=O)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H36F4N4O3S/c1-35-14-16-36(17-15-35)12-3-13-37(27(38)34-21-6-9-25(30)23(18-21)29(31,32)33)26-10-11-28(19-24(26)28)20-4-7-22(8-5-20)41(2,39)40/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188333
PNG
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-((1S,2R,5...)
Show SMILES COc1ccc(cn1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H35F4N5O2/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-20-5-6-23(29)21(16-20)28(30,31)32)24-8-9-27(17-22(24)27)19-4-7-25(39-2)33-18-19/h4-7,16,18,22,24H,3,8-15,17H2,1-2H3,(H,34,38)/t22-,24-,27-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215637
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES Fc1ccc(NC(=O)N(CC2CCN(CC2)C2CCOCC2)[C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)cc1Cl |w:27.28|
Show InChI InChI=1S/C32H38ClFN4O2/c33-29-18-26(4-5-30(29)34)36-31(39)38(21-22-7-12-37(13-8-22)27-9-14-40-15-10-27)28-6-11-32(19-25(32)17-28)24-3-1-2-23(16-24)20-35/h1-5,16,18,22,25,27-28H,6-15,17,19,21H2,(H,36,39)/t25?,28-,32-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215624
PNG
(3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanop...)
Show SMILES CC(C)N(CCO)CCN([C@@H]1CC[C@@]2(CC2C1)c1cccc(c1)C#N)C(=O)Nc1ccc(F)c(Cl)c1 |w:15.16|
Show InChI InChI=1S/C28H34ClFN4O2/c1-19(2)33(12-13-35)10-11-34(27(36)32-23-6-7-26(30)25(29)16-23)24-8-9-28(17-22(28)15-24)21-5-3-4-20(14-21)18-31/h3-7,14,16,19,22,24,35H,8-13,15,17H2,1-2H3,(H,32,36)/t22?,24-,28-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184931
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H34ClFN4O/c1-31-14-16-32(17-15-31)12-5-13-33(26(34)30-21-8-9-24(29)23(28)18-21)25-10-11-27(19-22(25)27)20-6-3-2-4-7-20/h2-4,6-9,18,22,25H,5,10-17,19H2,1H3,(H,30,34)/t22-,25-,27-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50215625
PNG
(3-(2,6-dichloropyridin-4-yl)-1-((3R,6S)-6-(3-(((S)...)
Show SMILES CS(=O)(=O)N1CCC(CN([C@@H]2CC[C@@]3(CC3C2)c2cccc(CN3CC[C@H](O)C3)c2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 |w:15.14|
Show InChI InChI=1S/C31H41Cl2N5O4S/c1-43(41,42)37-11-6-21(7-12-37)19-38(30(40)34-25-15-28(32)35-29(33)16-25)26-5-9-31(17-24(31)14-26)23-4-2-3-22(13-23)18-36-10-8-27(39)20-36/h2-4,13,15-16,21,24,26-27,39H,5-12,14,17-20H2,1H3,(H,34,35,40)/t24?,26-,27+,31-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50164248
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[(3R,6S)-6-(3-cyano...)
Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1
Show InChI InChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20?,22-,23-,27-/m1/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute K15 2545

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in CHO cells


Bioorg Med Chem 15: 5369-85 (2007)


Article DOI: 10.1016/j.bmc.2007.05.068
BindingDB Entry DOI: 10.7270/Q25T3K5V
More data for this
Ligand-Target Pair
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