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Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'paris' and Initial = 'jl'   
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))
BDBM50241095
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN2O/c1-29(2)18-19-4-5-24-17-26(15-12-23(24)16-19)30(3)27(31)22-8-6-20(7-9-22)21-10-13-25(28)14-11-21/h4-11,13-14,16,26H,12,15,17-18H2,1-3H3/t26-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200748
PNG
(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
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11n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198501
PNG
((S)-5-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)25-13-9-22(16-28-25)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198502
PNG
((S)-6-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)22-9-13-25(28-16-22)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200742
PNG
(7-(4-fluorophenethyl)-2-(4-(piperidin-1-ylmethyl)p...)
Show SMILES Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C29H34FN3O/c30-27-12-10-23(11-13-27)6-9-26-20-28-29(34)32(18-19-33(28)22-26)17-14-24-4-7-25(8-5-24)21-31-15-2-1-3-16-31/h4-5,7-8,10-13,20,22H,1-3,6,9,14-19,21H2
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15n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198499
PNG
((S)-4-(5-chloropyridin-2-yl)-N-(6-((dimethylamino)...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-22-15-24(12-10-21(22)14-18)30(3)26(31)20-8-6-19(7-9-20)25-13-11-23(27)16-28-25/h4-9,11,13-14,16,24H,10,12,15,17H2,1-3H3/t24-/m0/s1
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18n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198495
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)25-13-9-22(16-28-25)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200744
PNG
(CHEMBL408198 | N-(3-fluorophenyl)-4-oxo-5-(4-(pipe...)
Show SMILES Fc1cccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3n2)c1
Show InChI InChI=1S/C27H30FN5O2/c28-22-5-4-6-23(17-22)29-26(34)24-18-25-27(35)32(15-16-33(25)30-24)14-11-20-7-9-21(10-8-20)19-31-12-2-1-3-13-31/h4-10,17-18H,1-3,11-16,19H2,(H,29,34)
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22n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200745
PNG
(7-(4-fluorophenyl)-2-(4-(piperidin-1-ylmethyl)phen...)
Show SMILES Fc1ccc(cc1)-c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Show InChI InChI=1S/C27H30FN3O/c28-25-10-8-23(9-11-25)24-18-26-27(32)30(16-17-31(26)20-24)15-12-21-4-6-22(7-5-21)19-29-13-2-1-3-14-29/h4-11,18,20H,1-3,12-17,19H2
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23n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198500
PNG
((S)-N-(6-(((2-(dimethylamino)-2-oxoethyl)(methyl)a...)
Show SMILES CN(CC(=O)N(C)C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H34FN3O2/c1-32(2)29(35)20-33(3)19-21-5-6-26-18-28(16-13-25(26)17-21)34(4)30(36)24-9-7-22(8-10-24)23-11-14-27(31)15-12-23/h5-12,14-15,17,28H,13,16,18-20H2,1-4H3/t28-/m0/s1
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24n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191756
PNG
(4'-fluoro-biphenyl-4-carboxylic acid methyl-(3-pip...)
Show SMILES CN(Cc1cccc2cc(CN3CCCCC3)cnc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN3O/c1-33(30(35)25-10-8-23(9-11-25)24-12-14-28(31)15-13-24)21-27-7-5-6-26-18-22(19-32-29(26)27)20-34-16-3-2-4-17-34/h5-15,18-19H,2-4,16-17,20-21H2,1H3
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31n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191752
PNG
(6-(4-chlorophenyl)-3-((3-((4-hydroxypiperidin-1-yl...)
Show SMILES OC1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
Show InChI InChI=1S/C28H25ClN4O2S/c29-22-6-4-19(5-7-22)25-13-24-27(36-25)28(35)33(17-31-24)16-21-3-1-2-20-12-18(14-30-26(20)21)15-32-10-8-23(34)9-11-32/h1-7,12-14,17,23,34H,8-11,15-16H2
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51n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200738
PNG
(5-(4-((diethylamino)methyl)phenethyl)-N-(4-fluorop...)
Show SMILES CCN(CC)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H30FN5O2/c1-3-30(4-2)18-20-7-5-19(6-8-20)13-14-31-15-16-32-24(26(31)34)17-23(29-32)25(33)28-22-11-9-21(27)10-12-22/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,28,33)
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78n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200737
PNG
(5-(4-((dimethylamino)methyl)phenethyl)-N-(4-fluoro...)
Show SMILES CN(C)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H26FN5O2/c1-28(2)16-18-5-3-17(4-6-18)11-12-29-13-14-30-22(24(29)32)15-21(27-30)23(31)26-20-9-7-19(25)8-10-20/h3-10,15H,11-14,16H2,1-2H3,(H,26,31)
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82n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191768
PNG
(6-(4-chlorophenyl)-3-((3-(pyrrolidin-1-ylmethyl)qu...)
Show SMILES Clc1ccc(cc1)-c1cc2ncn(Cc3cccc4cc(CN5CCCC5)cnc34)c(=O)c2s1
Show InChI InChI=1S/C27H23ClN4OS/c28-22-8-6-19(7-9-22)24-13-23-26(34-24)27(33)32(17-30-23)16-21-5-3-4-20-12-18(14-29-25(20)21)15-31-10-1-2-11-31/h3-9,12-14,17H,1-2,10-11,15-16H2
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91n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50200745
PNG
(7-(4-fluorophenyl)-2-(4-(piperidin-1-ylmethyl)phen...)
Show SMILES Fc1ccc(cc1)-c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Show InChI InChI=1S/C27H30FN3O/c28-25-10-8-23(9-11-25)24-18-26-27(32)30(16-17-31(26)20-24)15-12-21-4-6-22(7-5-21)19-29-13-2-1-3-14-29/h4-11,18,20H,1-3,12-17,19H2
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100n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to serotonin receptor 5HT2C


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191765
PNG
(4'-fluoro-biphenyl-4-carboxylic acid (3-diethylami...)
Show SMILES CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cccc2c1
Show InChI InChI=1S/C28H28FN3O/c1-3-32(4-2)19-20-16-24-6-5-7-25(27(24)30-17-20)18-31-28(33)23-10-8-21(9-11-23)22-12-14-26(29)15-13-22/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)
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102n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198494
PNG
((S)-N-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-...)
Show SMILES CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H34FN3O2/c1-22(36)35-17-15-34(16-18-35)21-23-3-4-28-20-30(14-11-27(28)19-23)33(2)31(37)26-7-5-24(6-8-26)25-9-12-29(32)13-10-25/h3-10,12-13,19,30H,11,14-18,20-21H2,1-2H3/t30-/m0/s1
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103n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191753
PNG
(6-(4-chlorophenyl)-3-((3-((4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
Show InChI InChI=1S/C28H26ClN5OS/c1-32-9-11-33(12-10-32)16-19-13-21-3-2-4-22(26(21)30-15-19)17-34-18-31-24-14-25(36-27(24)28(34)35)20-5-7-23(29)8-6-20/h2-8,13-15,18H,9-12,16-17H2,1H3
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110n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198490
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O/c1-28(2)18-19-9-10-22-16-24(13-11-21(22)15-19)29(3)26(30)25-14-12-23(17-27-25)20-7-5-4-6-8-20/h4-10,12,14-15,17,24H,11,13,16,18H2,1-3H3/t24-/m0/s1
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118n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191766
PNG
(6-(4-chlorophenyl)-3-((3-((diethylamino)methyl)qui...)
Show SMILES CCN(CC)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
Show InChI InChI=1S/C27H25ClN4OS/c1-3-31(4-2)15-18-12-20-6-5-7-21(25(20)29-14-18)16-32-17-30-23-13-24(34-26(23)27(32)33)19-8-10-22(28)11-9-19/h5-14,17H,3-4,15-16H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241096
PNG
((S)-4-((6-(4'-fluoro-N-methylbiphenyl-4-ylcarboxam...)
Show SMILES CN([C@H]1CCc2cc(CN3CCN(CC3)C(N)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H33FN4O2/c1-33(29(36)24-6-4-22(5-7-24)23-8-11-27(31)12-9-23)28-13-10-25-18-21(2-3-26(25)19-28)20-34-14-16-35(17-15-34)30(32)37/h2-9,11-12,18,28H,10,13-17,19-20H2,1H3,(H2,32,37)/t28-/m0/s1
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129n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191755
PNG
(2-(((8-((6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyri...)
Show SMILES CN(CC(=O)N(C)C)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
Show InChI InChI=1S/C28H26ClN5O2S/c1-32(2)25(35)16-33(3)14-18-11-20-5-4-6-21(26(20)30-13-18)15-34-17-31-23-12-24(37-27(23)28(34)36)19-7-9-22(29)10-8-19/h4-13,17H,14-16H2,1-3H3
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136n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198498
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C26H29N3O/c1-28(2)18-19-7-8-23-17-24(14-13-22(23)16-19)29(3)26(30)21-11-9-20(10-12-21)25-6-4-5-15-27-25/h4-12,15-16,24H,13-14,17-18H2,1-3H3/t24-/m0/s1
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140n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191764
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [3-((S)-3-hyd...)
Show SMILES O[C@H]1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)C1
Show InChI InChI=1S/C28H26FN3O2/c29-25-10-8-21(9-11-25)20-4-6-22(7-5-20)28(34)31-16-24-3-1-2-23-14-19(15-30-27(23)24)17-32-13-12-26(33)18-32/h1-11,14-15,26,33H,12-13,16-18H2,(H,31,34)/t26-/m0/s1
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142n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198504
PNG
((S)-4'-fluoro-N-methyl-N-(6-((3-oxopiperazin-1-yl)...)
Show SMILES CN([C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3O2/c1-32(29(35)23-6-4-21(5-7-23)22-8-11-26(30)12-9-22)27-13-10-24-16-20(2-3-25(24)17-27)18-33-15-14-31-28(34)19-33/h2-9,11-12,16,27H,10,13-15,17-19H2,1H3,(H,31,34)/t27-/m0/s1
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145n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198491
PNG
((S)-1-(((S)-6-(4'-fluoro-N-methylbiphenyl-4-ylcarb...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H36FN3O2/c1-34(2)32(38)30-5-4-18-36(30)21-22-6-7-27-20-29(17-14-26(27)19-22)35(3)31(37)25-10-8-23(9-11-25)24-12-15-28(33)16-13-24/h6-13,15-16,19,29-30H,4-5,14,17-18,20-21H2,1-3H3/t29-,30-/m0/s1
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146n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200741
PNG
(7-(4-fluorobenzoyl)-2-(4-(piperidin-1-ylmethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Show InChI InChI=1S/C28H30FN3O2/c29-25-10-8-23(9-11-25)27(33)24-18-26-28(34)31(16-17-32(26)20-24)15-12-21-4-6-22(7-5-21)19-30-13-2-1-3-14-30/h4-11,18,20H,1-3,12-17,19H2
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148n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198493
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)22-9-13-25(28-16-22)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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184n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191761
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [3-(4-hydroxy...)
Show SMILES OC1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)CC1
Show InChI InChI=1S/C29H28FN3O2/c30-26-10-8-22(9-11-26)21-4-6-23(7-5-21)29(35)32-18-25-3-1-2-24-16-20(17-31-28(24)25)19-33-14-12-27(34)13-15-33/h1-11,16-17,27,34H,12-15,18-19H2,(H,32,35)
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195n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191762
PNG
(6-(4-chlorophenyl)-3-((3-((dimethylamino)methyl)qu...)
Show SMILES CN(C)Cc1cnc2c(Cn3cnc4cc(sc4c3=O)-c3ccc(Cl)cc3)cccc2c1
Show InChI InChI=1S/C25H21ClN4OS/c1-29(2)13-16-10-18-4-3-5-19(23(18)27-12-16)14-30-15-28-21-11-22(32-24(21)25(30)31)17-6-8-20(26)9-7-17/h3-12,15H,13-14H2,1-2H3
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197n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200740
PNG
(7-(4-fluorobenzyl)-2-(4-(piperidin-1-ylmethyl)phen...)
Show SMILES Fc1ccc(Cc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C28H32FN3O/c29-26-10-8-23(9-11-26)18-25-19-27-28(33)31(16-17-32(27)21-25)15-12-22-4-6-24(7-5-22)20-30-13-2-1-3-14-30/h4-11,19,21H,1-3,12-18,20H2
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228n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198487
PNG
((S)-N-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-...)
Show SMILES CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H33FN4O2/c1-21(36)35-15-13-34(14-16-35)20-22-3-4-25-18-28(11-7-24(25)17-22)33(2)30(37)29-12-8-26(19-32-29)23-5-9-27(31)10-6-23/h3-6,8-10,12,17,19,28H,7,11,13-16,18,20H2,1-2H3/t28-/m0/s1
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302n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191767
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [3-(4-methane...)
Show SMILES CS(=O)(=O)C1CCN(Cc2cnc3c(CNC(=O)c4ccc(cc4)-c4ccc(F)cc4)cccc3c2)CC1
Show InChI InChI=1S/C30H30FN3O3S/c1-38(36,37)28-13-15-34(16-14-28)20-21-17-25-3-2-4-26(29(25)32-18-21)19-33-30(35)24-7-5-22(6-8-24)23-9-11-27(31)12-10-23/h2-12,17-18,28H,13-16,19-20H2,1H3,(H,33,35)
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310n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191754
PNG
(CHEMBL213817 | N-(3-diethylaminomethyl-quinolin-8-...)
Show SMILES CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(nc3)-c3ccc(F)cc3)cccc2c1
Show InChI InChI=1S/C27H27FN4O/c1-3-32(4-2)18-19-14-21-6-5-7-22(26(21)30-15-19)16-31-27(33)23-10-13-25(29-17-23)20-8-11-24(28)12-9-20/h5-15,17H,3-4,16,18H2,1-2H3,(H,31,33)
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310n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191760
PNG
(CHEMBL216038 | N-(3-dimethylaminomethyl-quinolin-8...)
Show SMILES CN(C)Cc1cnc2c(CNC(=O)c3ccc(nc3)-c3ccc(F)cc3)cccc2c1
Show InChI InChI=1S/C25H23FN4O/c1-30(2)16-17-12-19-4-3-5-20(24(19)28-13-17)14-29-25(31)21-8-11-23(27-15-21)18-6-9-22(26)10-7-18/h3-13,15H,14,16H2,1-2H3,(H,29,31)
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414n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200743
PNG
(5-(4-((diethylamino)methyl)phenethyl)-4-oxo-N-(3-(...)
Show SMILES CCN(CC)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N5O2/c1-3-33(4-2)18-20-10-8-19(9-11-20)12-13-34-14-15-35-24(26(34)37)17-23(32-35)25(36)31-22-7-5-6-21(16-22)27(28,29)30/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,31,36)
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497n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200747
PNG
(CHEMBL217351 | N-(4-fluorophenyl)-1-oxo-2-(4-(pipe...)
Show SMILES Fc1ccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C28H31FN4O2/c29-24-8-10-25(11-9-24)30-27(34)23-18-26-28(35)32(16-17-33(26)20-23)15-12-21-4-6-22(7-5-21)19-31-13-2-1-3-14-31/h4-11,18,20H,1-3,12-17,19H2,(H,30,34)
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625n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50200740
PNG
(7-(4-fluorobenzyl)-2-(4-(piperidin-1-ylmethyl)phen...)
Show SMILES Fc1ccc(Cc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C28H32FN3O/c29-26-10-8-23(9-11-26)18-25-19-27-28(33)31(16-17-32(27)21-25)15-12-22-4-6-24(7-5-22)20-30-13-2-1-3-14-30/h4-11,19,21H,1-3,12-18,20H2
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700n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to serotonin receptor 5HT2C


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198489
PNG
((S)-N-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-...)
Show SMILES CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C30H34N4O2/c1-22(35)34-17-15-33(16-18-34)21-23-6-7-27-20-28(13-12-26(27)19-23)32(2)30(36)25-10-8-24(9-11-25)29-5-3-4-14-31-29/h3-11,14,19,28H,12-13,15-18,20-21H2,1-2H3/t28-/m0/s1
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727n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198492
PNG
(CHEMBL217860 | N-[(2S)-6-[(1,1-dioxo-1,4-thiomorph...)
Show SMILES CN([C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H31FN2O3S/c1-31(29(33)24-6-4-22(5-7-24)23-8-11-27(30)12-9-23)28-13-10-25-18-21(2-3-26(25)19-28)20-32-14-16-36(34,35)17-15-32/h2-9,11-12,18,28H,10,13-17,19-20H2,1H3/t28-/m0/s1
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755n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191759
PNG
(6-(4-chlorophenyl)-3-((3-((4-(methylsulfonyl)piper...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cnc3c(Cn4cnc5cc(sc5c4=O)-c4ccc(Cl)cc4)cccc3c2)CC1
Show InChI InChI=1S/C28H26ClN5O3S2/c1-39(36,37)34-11-9-32(10-12-34)16-19-13-21-3-2-4-22(26(21)30-15-19)17-33-18-31-24-14-25(38-27(24)28(33)35)20-5-7-23(29)8-6-20/h2-8,13-15,18H,9-12,16-17H2,1H3
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773n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191750
PNG
(6-(4-fluoro-phenyl)-N-[3-(4-hydroxy-piperidin-1-yl...)
Show SMILES OC1CCN(Cc2cnc3c(CNC(=O)c4ccc(nc4)-c4ccc(F)cc4)cccc3c2)CC1
Show InChI InChI=1S/C28H27FN4O2/c29-24-7-4-20(5-8-24)26-9-6-23(17-30-26)28(35)32-16-22-3-1-2-21-14-19(15-31-27(21)22)18-33-12-10-25(34)11-13-33/h1-9,14-15,17,25,34H,10-13,16,18H2,(H,32,35)
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803n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198503
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C26H29N3O/c1-28(2)18-19-6-7-23-16-25(13-12-22(23)15-19)29(3)26(30)21-10-8-20(9-11-21)24-5-4-14-27-17-24/h4-11,14-15,17,25H,12-13,16,18H2,1-3H3/t25-/m0/s1
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890n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191763
PNG
(6-(4-fluoro-phenyl)-N-[3-((S)-3-hydroxy-pyrrolidin...)
Show SMILES O[C@H]1CCN(Cc2cnc3c(CNC(=O)c4ccc(nc4)-c4ccc(F)cc4)cccc3c2)C1
Show InChI InChI=1S/C27H25FN4O2/c28-23-7-4-19(5-8-23)25-9-6-22(15-29-25)27(34)31-14-21-3-1-2-20-12-18(13-30-26(20)21)16-32-11-10-24(33)17-32/h1-9,12-13,15,24,33H,10-11,14,16-17H2,(H,31,34)/t24-/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50191758
PNG
(4'-fluoro-biphenyl-4-carboxylic acid (3-morpholin-...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCc1cccc2cc(CN3CCOCC3)cnc12
Show InChI InChI=1S/C28H26FN3O2/c29-26-10-8-22(9-11-26)21-4-6-23(7-5-21)28(33)31-18-25-3-1-2-24-16-20(17-30-27(24)25)19-32-12-14-34-15-13-32/h1-11,16-17H,12-15,18-19H2,(H,31,33)
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1.41E+3n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by radioligand binding assay


Bioorg Med Chem Lett 16: 5207-11 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.006
BindingDB Entry DOI: 10.7270/Q2SX6CV3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198488
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C26H29N3O/c1-28(2)18-19-4-5-24-17-25(11-10-23(24)16-19)29(3)26(30)22-8-6-20(7-9-22)21-12-14-27-15-13-21/h4-9,12-16,25H,10-11,17-18H2,1-3H3/t25-/m0/s1
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2.48E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200739
PNG
(5-(4-((diethylamino)methyl)phenethyl)-4-oxo-N-(4-(...)
Show SMILES CCN(CC)Cc1ccc(CCN2CCn3nc(cc3C2=O)C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N5O2/c1-3-33(4-2)18-20-7-5-19(6-8-20)13-14-34-15-16-35-24(26(34)37)17-23(32-35)25(36)31-22-11-9-21(10-12-22)27(28,29)30/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,31,36)
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2.48E+3n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50200742
PNG
(7-(4-fluorophenethyl)-2-(4-(piperidin-1-ylmethyl)p...)
Show SMILES Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
Show InChI InChI=1S/C29H34FN3O/c30-27-12-10-23(11-13-27)6-9-26-20-28-29(34)32(18-19-33(28)22-26)17-14-24-4-7-25(8-5-24)21-31-15-2-1-3-16-31/h4-5,7-8,10-13,20,22H,1-3,6,9,14-19,21H2
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2.50E+3n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to serotonin receptor 5HT2C


Bioorg Med Chem Lett 17: 657-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.096
BindingDB Entry DOI: 10.7270/Q2QR4WS9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198497
PNG
((S)-6-(4-fluorophenyl)-N-methyl-N-(6-((3-oxopipera...)
Show SMILES CN([C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1)C(=O)c1ccc(nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4O2/c1-32(28(35)23-7-11-26(31-16-23)20-4-8-24(29)9-5-20)25-10-6-21-14-19(2-3-22(21)15-25)17-33-13-12-30-27(34)18-33/h2-5,7-9,11,14,16,25H,6,10,12-13,15,17-18H2,1H3,(H,30,34)/t25-/m0/s1
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3.47E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
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