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Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'mcbriar' and Initial = 'md'   
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))
BDBM50184944
PNG
(CHEMBL382668 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)
Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C30H34F4N4O/c31-26-10-9-23(18-24(26)30(32,33)34)36-28(39)38(16-5-4-15-37-13-2-1-3-14-37)27-11-12-29(19-25(27)29)22-8-6-7-21(17-22)20-35/h6-10,17-18,25,27H,1-5,11-16,19H2,(H,36,39)/t25-,27-,29-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170625
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C30H30ClFN4O/c31-28-19-24(10-13-29(28)32)34-30(37)36(27-14-16-35(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-33/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,34,37)
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184925
PNG
(CHEMBL380509 | N-[trans-5-(4-fluorophenyl)bicyclo[...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)cc2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H33F5N4O/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-21-7-8-24(30)22(17-21)28(31,32)33)25-9-10-27(18-23(25)27)19-3-5-20(29)6-4-19/h3-8,17,23,25H,2,9-16,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50164243
PNG
((R)-1-(3'-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifl...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170614
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C31H30F4N4O/c32-29-13-10-24(19-28(29)31(33,34)35)37-30(40)39(27-14-16-38(17-15-27)25-6-1-2-7-25)26-11-8-22(9-12-26)23-5-3-4-21(18-23)20-36/h3-5,8-13,18-19,25,27H,1-2,6-7,14-17H2,(H,37,40)
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
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
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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184928
PNG
(CHEMBL382140 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)
Show SMILES CN1CCN(CCCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H35F4N5O/c1-37-13-15-38(16-14-37)11-2-3-12-39(28(40)36-23-7-8-26(31)24(18-23)30(32,33)34)27-9-10-29(19-25(27)29)22-6-4-5-21(17-22)20-35/h4-8,17-18,25,27H,2-3,9-16,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184948
PNG
(CHEMBL206616 | N-[trans-5-(3-fluorophenyl)bicyclo[...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H33F5N4O/c1-35-12-14-36(15-13-35)10-3-11-37(26(38)34-21-6-7-24(30)22(17-21)28(31,32)33)25-8-9-27(18-23(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,23,25H,3,8-15,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
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))
BDBM50184919
PNG
(CHEMBL208025 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)
Show SMILES Fc1ccc(NC(=O)N(CCCCN2CCOCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C29H32F4N4O2/c30-25-7-6-22(17-23(25)29(31,32)33)35-27(38)37(11-2-1-10-36-12-14-39-15-13-36)26-8-9-28(18-24(26)28)21-5-3-4-20(16-21)19-34/h3-7,16-17,24,26H,1-2,8-15,18H2,(H,35,38)/t24-,26-,28-/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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170617
PNG
(1-(3'-cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H30Cl2N4O/c31-24-17-25(32)19-26(18-24)34-30(37)36(29-12-14-35(15-13-29)27-6-1-2-7-27)28-10-8-22(9-11-28)23-5-3-4-21(16-23)20-33/h3-5,8-11,16-19,27,29H,1-2,6-7,12-15H2,(H,34,37)
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2.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
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))
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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
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))
BDBM50164246
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES CN1CCN(CCCCN([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/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/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
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
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))
BDBM50184921
PNG
(CHEMBL204881 | N'-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES COc1ccc(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/C29H36F4N4O2/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(39-2)8-5-20/h4-9,18,24,26H,3,10-17,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184910
PNG
(CHEMBL206248 | N'-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES COc1cccc(c1)[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/C29H36F4N4O2/c1-35-13-15-36(16-14-35)11-4-12-37(27(38)34-21-7-8-25(30)23(18-21)29(31,32)33)26-9-10-28(19-24(26)28)20-5-3-6-22(17-20)39-2/h3,5-8,17-18,24,26H,4,9-16,19H2,1-2H3,(H,34,38)/t24-,26-,28-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50164244
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[4-(3-cyano-phenyl)...)
Show SMILES Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C26H28ClFN4O/c27-24-17-22(8-11-25(24)28)30-26(33)32(15-14-31-12-1-2-13-31)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-29/h3-6,8,11,16-17,23H,1-2,7,9-10,12-15H2,(H,30,33)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50164246
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES CN1CCN(CCCCN([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/C30H35F4N5O/c1-37-14-16-38(17-15-37)12-2-3-13-39(28(40)36-23-8-9-26(31)24(18-23)30(32,33)34)27-10-11-29(19-25(27)29)22-6-4-21(20-35)5-7-22/h4-9,18,25,27H,2-3,10-17,19H2,1H3,(H,36,40)/t25-,27-,29-/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
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))
BDBM50170622
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22ClFN4O/c1-29(2)12-13-30(24(31)28-20-8-11-23(26)22(25)15-20)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-27/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184926
PNG
(CHEMBL382177 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H33ClF2N4O/c1-32-12-14-33(15-13-32)10-3-11-34(26(35)31-21-6-7-24(30)23(28)17-21)25-8-9-27(18-22(25)27)19-4-2-5-20(29)16-19/h2,4-7,16-17,22,25H,3,8-15,18H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184913
PNG
(CHEMBL205838 | N-[trans-5-(4-cyano-3-fluorophenyl)...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(C#N)c(F)c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-5-6-24(30)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-4-3-19(18-35)25(31)15-20/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50174814
PNG
(CHEMBL372551 | N-[2-(3'-cyano-biphenyl-4-yl)-ethyl...)
Show SMILES O[C@H]1CCN(CC(=O)N(CCc2ccc(cc2)-c2cccc(c2)C#N)CC(=O)Nc2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C29H28Cl2N4O3/c30-24-13-25(31)15-26(14-24)33-28(37)18-35(29(38)19-34-10-9-27(36)17-34)11-8-20-4-6-22(7-5-20)23-3-1-2-21(12-23)16-32/h1-7,12-15,27,36H,8-11,17-19H2,(H,33,37)/t27-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human MCH1 receptor


Bioorg Med Chem Lett 15: 5234-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.043
BindingDB Entry DOI: 10.7270/Q24F1Q80
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170626
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-cyclopropylmethyl-...)
Show SMILES Fc1ccc(NC(=O)N(C2CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C30H28F4N4O/c31-28-11-8-24(17-27(28)30(32,33)34)36-29(39)38(26-12-14-37(15-13-26)19-20-4-5-20)25-9-6-22(7-10-25)23-3-1-2-21(16-23)18-35/h1-3,6-11,16-17,20,26H,4-5,12-15,19H2,(H,36,39)
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184911
PNG
(CHEMBL204407 | N-[trans-5-(3-cyano-4-fluorophenyl)...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F5N5O/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)36-21-4-6-25(31)22(16-21)29(32,33)34)26-7-8-28(17-23(26)28)20-3-5-24(30)19(15-20)18-35/h3-6,15-16,23,26H,2,7-14,17H2,1H3,(H,36,40)/t23-,26-,28-/m1/s1
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184949
PNG
(CHEMBL206503 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)
Show SMILES Fc1ccc(NC(=O)N(CCN2CCCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C27H30ClFN4O/c28-23-16-21(7-8-24(23)29)31-26(34)33(14-13-32-11-2-1-3-12-32)25-9-10-27(17-22(25)27)20-6-4-5-19(15-20)18-30/h4-8,15-16,22,25H,1-3,9-14,17H2,(H,31,34)/t22-,25-,27-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184941
PNG
(CHEMBL204212 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(F)c(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H32ClF3N4O/c1-33-11-13-34(14-12-33)9-2-10-35(26(36)32-19-4-6-22(29)21(28)16-19)25-7-8-27(17-20(25)27)18-3-5-23(30)24(31)15-18/h3-6,15-16,20,25H,2,7-14,17H2,1H3,(H,32,36)/t20-,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
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
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))
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))
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))
BDBM50170613
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES Fc1cc(NC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1C(F)(F)F
Show InChI InChI=1S/C27H24F4N4O/c28-25-17-22(8-11-24(25)27(29,30)31)33-26(36)35(15-14-34-12-1-2-13-34)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-32/h3-11,16-17H,1-2,12-15H2,(H,33,36)
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5.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170608
PNG
(3-(3-Chloro-phenyl)-1-(3'-cyano-biphenyl-4-yl)-1-(...)
Show SMILES Clc1cccc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H31ClN4O/c31-25-7-4-8-26(20-25)33-30(36)35(29-15-17-34(18-16-29)27-9-1-2-10-27)28-13-11-23(12-14-28)24-6-3-5-22(19-24)21-32/h3-8,11-14,19-20,27,29H,1-2,9-10,15-18H2,(H,33,36)
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5.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50164247
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cy...)
Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@@H]3C2)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+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170615
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES CNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H20ClFN4O/c1-27-11-12-29(23(30)28-19-7-10-22(25)21(24)14-19)20-8-5-17(6-9-20)18-4-2-3-16(13-18)15-26/h2-10,13-14,27H,11-12H2,1H3,(H,28,30)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170618
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(c(F)c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H22F4N4O/c1-32(2)12-13-33(24(34)31-20-8-11-22(23(26)15-20)25(27,28)29)21-9-6-18(7-10-21)19-5-3-4-17(14-19)16-30/h3-11,14-15H,12-13H2,1-2H3,(H,31,34)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184929
PNG
(CHEMBL204161 | N'-(3-chloro-4-fluorophenyl)-N-[tra...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2cc(F)cc(F)c2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C27H32ClF3N4O/c1-33-9-11-34(12-10-33)7-2-8-35(26(36)32-21-3-4-24(31)23(28)16-21)25-5-6-27(17-22(25)27)18-13-19(29)15-20(30)14-18/h3-4,13-16,22,25H,2,5-12,17H2,1H3,(H,32,36)/t22-,25-,27-/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184937
PNG
(CHEMBL382631 | N-[trans-5-(3-cyanophenyl)bicyclo[3...)
Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C27H28F4N4O2/c28-23-5-4-19(13-21(23)27(29,30)31)33-25(37)35(11-10-34-9-7-20(36)16-34)24-6-8-26(14-22(24)26)18-3-1-2-17(12-18)15-32/h1-5,12-13,20,22,24,36H,6-11,14,16H2,(H,33,37)/t20-,22-,24-,26-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50164255
PNG
(1-[(1S,2R,5S)-5-(2-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccccc2C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C27H28F4N4O2/c28-23-6-5-18(13-21(23)27(29,30)31)33-25(37)35(12-11-34-10-8-19(36)16-34)24-7-9-26(14-22(24)26)20-4-2-1-3-17(20)15-32/h1-6,13,19,22,24,36H,7-12,14,16H2,(H,33,37)/t19-,22-,24-,26-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170616
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-(3'-cyano-biphenyl-...)
Show SMILES O[C@@H]1CCN(CCN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C26H24ClFN4O2/c27-24-15-21(6-9-25(24)28)30-26(34)32(13-12-31-11-10-23(33)17-31)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-29/h1-9,14-15,23,33H,10-13,17H2,(H,30,34)/t23-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170630
PNG
(1-(3'-Cyano-biphenyl-4-yl)-1-(1-ethyl-piperidin-4-...)
Show SMILES CCN1CCC(CC1)N(C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26F4N4O/c1-2-35-14-12-24(13-15-35)36(27(37)34-22-8-11-26(29)25(17-22)28(30,31)32)23-9-6-20(7-10-23)21-5-3-4-19(16-21)18-33/h3-11,16-17,24H,2,12-15H2,1H3,(H,34,37)
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50174832
PNG
(CHEMBL198562 | N-[2-(3'-cyano-biphenyl-4-yl)-ethyl...)
Show SMILES O[C@H]1CCN(CCC(=O)N(CCc2ccc(cc2)-c2cccc(c2)C#N)CC(=O)Nc2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C30H30Cl2N4O3/c31-25-15-26(32)17-27(16-25)34-29(38)20-36(30(39)10-12-35-11-9-28(37)19-35)13-8-21-4-6-23(7-5-21)24-3-1-2-22(14-24)18-33/h1-7,14-17,28,37H,8-13,19-20H2,(H,34,38)/t28-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human MCH1 receptor


Bioorg Med Chem Lett 15: 5234-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.043
BindingDB Entry DOI: 10.7270/Q24F1Q80
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170620
PNG
(1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...)
Show SMILES O[C@H]1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)C1
Show InChI InChI=1S/C27H24F4N4O2/c28-25-15-21(6-9-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human melanin concentrating hormone receptor 1


J Med Chem 48: 4746-9 (2005)


Article DOI: 10.1021/jm0503852
BindingDB Entry DOI: 10.7270/Q2P55N26
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50164253
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[(1S,3R,6R)-6-(3-cy...)
Show SMILES O[C@@H]1CCN(CCN([C@@H]2CC[C@]3(C[C@H]3C2)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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7.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for mouse Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
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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7.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 1


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50184936
PNG
(CHEMBL206831 | N-[trans-5-(4-cyanophenyl)bicyclo[3...)
Show SMILES Fc1ccc(NC(=O)N(CCCN2CCNCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C28H31F4N5O/c29-24-7-6-21(16-22(24)28(30,31)32)35-26(38)37(13-1-12-36-14-10-34-11-15-36)25-8-9-27(17-23(25)27)20-4-2-19(18-33)3-5-20/h2-7,16,23,25,34H,1,8-15,17H2,(H,35,38)/t23-,25-,27-/m1/s1
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 49: 2294-310 (2006)


Article DOI: 10.1021/jm050886n
BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
More data for this
Ligand-Target Pair
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