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PubMed code 15801820

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		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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PubMed
 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 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 1


(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 |c:20|
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)		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 1


(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 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 1


(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 1


(Homo sapiens (Human))		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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 8.80n/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


(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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 8.90n/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 1


(Homo sapiens (Human))		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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 9.20n/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)		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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 9.60n/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 1


(Mus musculus)		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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 10.7n/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 1


(Homo sapiens (Human))		BDBM50164245
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(CCN2CCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C26H28Cl2N4O/c27-20-13-21(28)15-22(14-20)30-25(33)32(12-11-31-9-1-2-10-31)24-7-8-26(16-23(24)26)19-5-3-18(17-29)4-6-19/h3-6,13-15,23-24H,1-2,7-12,16H2,(H,30,33)/t23-,24-,26-/m1/s1
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 18n/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


(Homo sapiens (Human))		BDBM50164252
PNG
(1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...)
Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:8.7,1.0,wD:11.14,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)|
Show InChI InChI=1S/C27H30F4N4O2/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/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22-,23-/m1/s1
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 215n/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


(Homo sapiens (Human))		BDBM50164249
PNG
(1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fl...)
Show SMILES C[C@@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|
Show InChI InChI=1S/C28H32F4N4O2/c1-27(20-4-2-3-19(15-20)17-33)10-7-22(8-11-27)36(14-13-35-12-9-23(37)18-35)26(38)34-21-5-6-25(29)24(16-21)28(30,31)32/h2-6,15-16,22-23,37H,7-14,18H2,1H3,(H,34,38)/t22-,23-,27-/m1/s1
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 391n/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


(Homo sapiens (Human))		BDBM50164254
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[(3R,6R)-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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 1.17E+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


(Homo sapiens (Human))		BDBM50164250
PNG
(1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...)
Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:11.14,8.7,1.0,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)|
Show InChI InChI=1S/C27H30F4N4O2/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/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22+,23-/m1/s1
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 2.02E+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 2


(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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>3.00E+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 2

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 2


(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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>3.00E+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 2

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 2


(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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>3.00E+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 2

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 2


(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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>3.00E+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 2

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 2


(Homo sapiens (Human))		BDBM50164249
PNG
(1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fl...)
Show SMILES C[C@@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|
Show InChI InChI=1S/C28H32F4N4O2/c1-27(20-4-2-3-19(15-20)17-33)10-7-22(8-11-27)36(14-13-35-12-9-23(37)18-35)26(38)34-21-5-6-25(29)24(16-21)28(30,31)32/h2-6,15-16,22-23,37H,7-14,18H2,1H3,(H,34,38)/t22-,23-,27-/m1/s1
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>3.00E+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 2

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 2


(Homo sapiens (Human))		BDBM50164254
PNG
(3-(3-Chloro-4-fluoro-phenyl)-1-[(3R,6R)-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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>3.00E+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 2

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


(Homo sapiens (Human))		BDBM50164251
PNG
(1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fl...)
Show SMILES C[C@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,wD:1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|
Show InChI InChI=1S/C28H32F4N4O2/c1-27(20-4-2-3-19(15-20)17-33)10-7-22(8-11-27)36(14-13-35-12-9-23(37)18-35)26(38)34-21-5-6-25(29)24(16-21)28(30,31)32/h2-6,15-16,22-23,37H,7-14,18H2,1H3,(H,34,38)/t22-,23-,27+/m1/s1
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>3.00E+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 2


(Homo sapiens (Human))		BDBM50164251
PNG
(1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fl...)
Show SMILES C[C@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,wD:1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|
Show InChI InChI=1S/C28H32F4N4O2/c1-27(20-4-2-3-19(15-20)17-33)10-7-22(8-11-27)36(14-13-35-12-9-23(37)18-35)26(38)34-21-5-6-25(29)24(16-21)28(30,31)32/h2-6,15-16,22-23,37H,7-14,18H2,1H3,(H,34,38)/t22-,23-,27+/m1/s1
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>3.00E+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 2

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 2


(Homo sapiens (Human))		BDBM50164250
PNG
(1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...)
Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:11.14,8.7,1.0,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)|
Show InChI InChI=1S/C27H30F4N4O2/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/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22+,23-/m1/s1
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>3.00E+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 2

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 2


(Homo sapiens (Human))		BDBM50164245
PNG
(1-[(1S,2R,5S)-5-(4-Cyano-phenyl)-bicyclo[3.1.0]hex...)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(CCN2CCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C26H28Cl2N4O/c27-20-13-21(28)15-22(14-20)30-25(33)32(12-11-31-9-1-2-10-31)24-7-8-26(16-23(24)26)19-5-3-18(17-29)4-6-19/h3-6,13-15,23-24H,1-2,7-12,16H2,(H,30,33)/t23-,24-,26-/m1/s1
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>3.00E+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 2

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 2


(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 |c:20|
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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>3.00E+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 2

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 2


(Homo sapiens (Human))		BDBM50164252
PNG
(1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...)
Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:8.7,1.0,wD:11.14,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)|
Show InChI InChI=1S/C27H30F4N4O2/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/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22-,23-/m1/s1
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>3.00E+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 2

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 2


(Homo sapiens (Human))		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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>3.00E+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 2

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 2


(Homo sapiens (Human))		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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>3.00E+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 2

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
* indicates data uncertainty>20%