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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with all data for entry = 50017806   
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))
BDBM50186790
PNG
(4-(1-benzyl-piperidin-4-yl)-4-(3'-cyano-biphenyl-4...)
Show SMILES Fc1ccc(NC(=O)CCC(C2CCN(Cc3ccccc3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C35H33F2N3O/c36-33-15-13-31(22-34(33)37)39-35(41)16-14-32(29-17-19-40(20-18-29)24-25-5-2-1-3-6-25)28-11-9-27(10-12-28)30-8-4-7-26(21-30)23-38/h1-13,15,21-22,29,32H,14,16-20,24H2,(H,39,41)
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1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186811
PNG
(4a-(3'-cyano-biphenyl-4-yl)-N-(3,4-difluoro-phenyl...)
Show SMILES Fc1ccc(NC(=O)CCC(C2CCNCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C28H27F2N3O/c29-26-10-8-24(17-27(26)30)33-28(34)11-9-25(22-12-14-32-15-13-22)21-6-4-20(5-7-21)23-3-1-2-19(16-23)18-31/h1-8,10,16-17,22,25,32H,9,11-15H2,(H,33,34)
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1.20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186806
PNG
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)COC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H31Cl2N3O2/c32-26-17-27(33)19-28(18-26)35-30(37)21-38-31(12-14-36(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H,35,37)
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2n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50169389
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)35-21-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29H,1-2,6-7,12-15,21H2,(H2,35,36,38)
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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 at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186801
PNG
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H32Cl2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38)
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3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186792
PNG
(CHEMBL210715 | N-(3-chloro-4-fluoro-phenyl)-2-[4-(...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C31H32ClFN4O/c32-28-19-26(12-13-29(28)33)36-30(38)21-35-31(14-16-37(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-34/h3-5,8-13,18-19,27,35H,1-2,6-7,14-17,21H2,(H,36,38)
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3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186770
PNG
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Fc1cc(F)cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H32F2N4O/c32-26-17-27(33)19-28(18-26)36-30(38)21-35-31(12-14-37(15-13-31)29-6-1-2-7-29)25-10-8-23(9-11-25)24-5-3-4-22(16-24)20-34/h3-5,8-11,16-19,29,35H,1-2,6-7,12-15,21H2,(H,36,38)
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3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186802
PNG
(CHEMBL211285 | N-(3-chloro-4-fluoro-phenyl)-2-{[4-...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C32H34ClFN4O/c1-37(22-31(39)36-27-13-14-30(34)29(33)20-27)32(15-17-38(18-16-32)28-7-2-3-8-28)26-11-9-24(10-12-26)25-6-4-5-23(19-25)21-35/h4-6,9-14,19-20,28H,2-3,7-8,15-18,22H2,1H3,(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
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186777
PNG
(2-{[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piper...)
Show SMILES CN(CC(=O)Nc1cc(F)cc(F)c1)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C32H34F2N4O/c1-37(22-31(39)36-29-19-27(33)18-28(34)20-29)32(13-15-38(16-14-32)30-7-2-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,2-3,7-8,13-16,22H2,1H3,(H,36,39)
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6n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186813
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopropylmethyl-...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C31H31F2N3O/c32-28-11-10-27(19-29(28)33)35-30(37)12-13-31(14-16-36(17-15-31)21-22-4-5-22)26-8-6-24(7-9-26)25-3-1-2-23(18-25)20-34/h1-3,6-11,18-19,22H,4-5,12-17,21H2,(H,35,37)
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8n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186779
PNG
(2-{[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piper...)
Show SMILES CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C32H34Cl2N4O/c1-37(22-31(39)36-29-19-27(33)18-28(34)20-29)32(13-15-38(16-14-32)30-7-2-3-8-30)26-11-9-24(10-12-26)25-6-4-5-23(17-25)21-35/h4-6,9-12,17-20,30H,2-3,7-8,13-16,22H2,1H3,(H,36,39)
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9n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186786
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C32H33F2N3O/c33-29-13-12-27(21-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38)
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13n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186793
PNG
(4'-[[(6-chloro-5-fluoro-1H-benzoimidazol-2-ylmethy...)
Show SMILES Fc1cc2[nH]c(CNC(C3CCN(CC4CC4)CC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2cc1Cl
Show InChI InChI=1S/C31H31ClFN5/c32-26-15-28-29(16-27(26)33)37-30(36-28)18-35-31(24-10-12-38(13-11-24)19-20-4-5-20)23-8-6-22(7-9-23)25-3-1-2-21(14-25)17-34/h1-3,6-9,14-16,20,24,31,35H,4-5,10-13,18-19H2,(H,36,37)
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14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186821
PNG
(2-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1C(F)(F)F
Show InChI InChI=1S/C32H32F4N4O/c33-29-13-12-26(19-28(29)32(34,35)36)39-30(41)21-38-31(14-16-40(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-37/h3-5,8-13,18-19,27,38H,1-2,6-7,14-17,21H2,(H,39,41)
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16n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186788
PNG
(2-{[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piper...)
Show SMILES CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C33H34ClF3N4O/c1-40(22-31(42)39-27-13-14-30(34)29(20-27)33(35,36)37)32(15-17-41(18-16-32)28-7-2-3-8-28)26-11-9-24(10-12-26)25-6-4-5-23(19-25)21-38/h4-6,9-14,19-20,28H,2-3,7-8,15-18,22H2,1H3,(H,39,42)
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16n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186785
PNG
(2-{[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piper...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(c1)C(F)(F)F)C1(CCN(CC1)C1CCCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C33H34F4N4O/c1-40(22-31(42)39-27-13-14-30(34)29(20-27)33(35,36)37)32(15-17-41(18-16-32)28-7-2-3-8-28)26-11-9-24(10-12-26)25-6-4-5-23(19-25)21-38/h4-6,9-14,19-20,28H,2-3,7-8,15-18,22H2,1H3,(H,39,42)
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18n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186791
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-cyclobutyl-piperid...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCN(CC2)C2CCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C31H31F2N3O/c32-28-12-11-26(20-29(28)33)35-30(37)13-14-31(15-17-36(18-16-31)27-5-2-6-27)25-9-7-23(8-10-25)24-4-1-3-22(19-24)21-34/h1,3-4,7-12,19-20,27H,2,5-6,13-18H2,(H,35,37)
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19n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186822
PNG
(4'-{[(6-chloro-5-fluoro-1H-benzoimidazol-2-ylmethy...)
Show SMILES Fc1cc2[nH]c(CNC(C3CCNCC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2cc1Cl
Show InChI InChI=1S/C27H25ClFN5/c28-22-13-24-25(14-23(22)29)34-26(33-24)16-32-27(20-8-10-31-11-9-20)19-6-4-18(5-7-19)21-3-1-2-17(12-21)15-30/h1-7,12-14,20,27,31-32H,8-11,16H2,(H,33,34)
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20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186815
PNG
(CHEMBL210531 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(C=O)c2)cc1Cl
Show InChI InChI=1S/C31H33ClFN3O2/c32-28-19-26(12-13-29(28)33)35-30(38)20-34-31(14-16-36(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)21-37/h3-5,8-13,18-19,21,27,34H,1-2,6-7,14-17,20H2,(H,35,38)
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21n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186798
PNG
(CHEMBL378180 | N-(4-chloro-3-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1cc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1Cl
Show InChI InChI=1S/C32H32ClF3N4O/c33-29-13-12-26(19-28(29)32(34,35)36)39-30(41)21-38-31(14-16-40(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-37/h3-5,8-13,18-19,27,38H,1-2,6-7,14-17,21H2,(H,39,41)
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23n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186778
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-piperidin-4-yl]-N-(3...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCNCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C27H25F2N3O/c28-24-9-8-23(17-25(24)29)32-26(33)10-11-27(12-14-31-15-13-27)22-6-4-20(5-7-22)21-3-1-2-19(16-21)18-30/h1-9,16-17,31H,10-15H2,(H,32,33)
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25n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186781
PNG
(4-(3'-cyano-biphenyl-4-yl)-N-(3,4-difluoro-phenyl)...)
Show SMILES CS(=O)(=O)N1CCC(CC1)C(CCC(=O)Nc1ccc(F)c(F)c1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H29F2N3O3S/c1-38(36,37)34-15-13-23(14-16-34)26(10-12-29(35)33-25-9-11-27(30)28(31)18-25)22-7-5-21(6-8-22)24-4-2-3-20(17-24)19-32/h2-9,11,17-18,23,26H,10,12-16H2,1H3,(H,33,35)
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26n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186800
PNG
(4'-[1-(1-benzyl-piperidin-4-yl)-3-(4,6-dichloro-1H...)
Show SMILES Clc1cc(Cl)c2[nH]c(CCC(C3CCN(Cc4ccccc4)CC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2c1
Show InChI InChI=1S/C35H32Cl2N4/c36-30-20-32(37)35-33(21-30)39-34(40-35)14-13-31(28-15-17-41(18-16-28)23-24-5-2-1-3-6-24)27-11-9-26(10-12-27)29-8-4-7-25(19-29)22-38/h1-12,19-21,28,31H,13-18,23H2,(H,39,40)
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26n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186800
PNG
(4'-[1-(1-benzyl-piperidin-4-yl)-3-(4,6-dichloro-1H...)
Show SMILES Clc1cc(Cl)c2[nH]c(CCC(C3CCN(Cc4ccccc4)CC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2c1
Show InChI InChI=1S/C35H32Cl2N4/c36-30-20-32(37)35-33(21-30)39-34(40-35)14-13-31(28-15-17-41(18-16-28)23-24-5-2-1-3-6-24)27-11-9-26(10-12-27)29-8-4-7-25(19-29)22-38/h1-12,19-21,28,31H,13-18,23H2,(H,39,40)
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26n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186782
PNG
(CHEMBL380275 | N-(4-chloro-3-trifluoromethyl-pheny...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C32H33ClFN3O/c33-29-21-27(12-13-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38)
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30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186789
PNG
(4'-[[(6-chloro-5-fluoro-1H-benzoimidazol-2-ylmethy...)
Show SMILES Fc1cc2[nH]c(CNC(C3CCN(CC3)C3CCCC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2cc1Cl
Show InChI InChI=1S/C32H33ClFN5/c33-27-17-29-30(18-28(27)34)38-31(37-29)20-36-32(24-12-14-39(15-13-24)26-6-1-2-7-26)23-10-8-22(9-11-23)25-5-3-4-21(16-25)19-35/h3-5,8-11,16-18,24,26,32,36H,1-2,6-7,12-15,20H2,(H,37,38)
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39n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186820
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Fc1cc(F)cc(NC(=O)CCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H33F2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)
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40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186816
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H33Cl2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)
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42n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186784
PNG
(4-(3'-cyano-biphenyl-4-yl)-4-[2-(3,4-difluoro-phen...)
Show SMILES CCN(CC)C(=O)N1CCC(CCC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C32H34F2N4O2/c1-3-37(4-2)31(40)38-18-16-32(17-19-38,15-14-30(39)36-27-12-13-28(33)29(34)21-27)26-10-8-24(9-11-26)25-7-5-6-23(20-25)22-35/h5-13,20-21H,3-4,14-19H2,1-2H3,(H,36,39)
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45n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186794
PNG
(4'-[1-(1-benzyl-piperidin-4-yl)-3-(4-chloro-5-fluo...)
Show SMILES Fc1ccc2nc(CCC(C3CCN(Cc4ccccc4)CC3)c3ccc(cc3)-c3cccc(c3)C#N)[nH]c2c1Cl
Show InChI InChI=1S/C35H32ClFN4/c36-34-31(37)14-15-32-35(34)40-33(39-32)16-13-30(28-17-19-41(20-18-28)23-24-5-2-1-3-6-24)27-11-9-26(10-12-27)29-8-4-7-25(21-29)22-38/h1-12,14-15,21,28,30H,13,16-20,23H2,(H,39,40)
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46n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186775
PNG
(4-[[(6-chloro-5-fluoro-1H-benzoimidazol-2-ylmethyl...)
Show SMILES Fc1cc2[nH]c(CNC(C3CCN(CC3)C(=O)OCc3ccccc3)c3ccc(cc3)-c3cccc(c3)C#N)nc2cc1Cl
Show InChI InChI=1S/C35H31ClFN5O2/c36-29-18-31-32(19-30(29)37)41-33(40-31)21-39-34(26-11-9-25(10-12-26)28-8-4-7-24(17-28)20-38)27-13-15-42(16-14-27)35(43)44-22-23-5-2-1-3-6-23/h1-12,17-19,27,34,39H,13-16,21-22H2,(H,40,41)
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48n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186808
PNG
(CHEMBL413578 | N-(4-chloro-3-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1cc(NC(=O)COC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1Cl
Show InChI InChI=1S/C32H31ClF3N3O2/c33-29-13-12-26(19-28(29)32(34,35)36)38-30(40)21-41-31(14-16-39(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-37/h3-5,8-13,18-19,27H,1-2,6-7,14-17,21H2,(H,38,40)
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49n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186812
PNG
(4-(3'-cyano-biphenyl-4-yl)-4-[2-(3,4-difluoro-phen...)
Show SMILES Fc1ccc(NC(=O)CCC2(CCN(CC2)C(=O)OCc2ccccc2)c2ccc(cc2)-c2cccc(c2)C#N)cc1F
Show InChI InChI=1S/C35H31F2N3O3/c36-31-14-13-30(22-32(31)37)39-33(41)15-16-35(29-11-9-27(10-12-29)28-8-4-7-26(21-28)23-38)17-19-40(20-18-35)34(42)43-24-25-5-2-1-3-6-25/h1-14,21-22H,15-20,24H2,(H,39,41)
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51n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186772
PNG
(CHEMBL212093 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cc(Cl)ccc2Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl3FN3O/c31-22-9-11-26(32)25(17-22)20-5-7-21(8-6-20)30(13-15-37(16-14-30)24-3-1-2-4-24)35-19-29(38)36-23-10-12-28(34)27(33)18-23/h5-12,17-18,24,35H,1-4,13-16,19H2,(H,36,38)
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52n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186809
PNG
(3-[1-acetyl-4-(3'-cyano-biphenyl-4-yl)-piperidin-4...)
Show SMILES CC(=O)N1CCC(CCC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H27F2N3O2/c1-20(35)34-15-13-29(14-16-34,12-11-28(36)33-25-9-10-26(30)27(31)18-25)24-7-5-22(6-8-24)23-4-2-3-21(17-23)19-32/h2-10,17-18H,11-16H2,1H3,(H,33,36)
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61n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186787
PNG
(2-[4-(3'-chloro-biphenyl-4-yl)-1-cyclopentyl-piper...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(Cl)c2)cc1Cl
Show InChI InChI=1S/C30H32Cl2FN3O/c31-24-5-3-4-22(18-24)21-8-10-23(11-9-21)30(14-16-36(17-15-30)26-6-1-2-7-26)34-20-29(37)35-25-12-13-28(33)27(32)19-25/h3-5,8-13,18-19,26,34H,1-2,6-7,14-17,20H2,(H,35,37)
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63n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186805
PNG
(CHEMBL209935 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(OC(F)(F)F)c2)cc1Cl
Show InChI InChI=1S/C31H32ClF4N3O2/c32-27-19-24(12-13-28(27)33)38-29(40)20-37-30(14-16-39(17-15-30)25-5-1-2-6-25)23-10-8-21(9-11-23)22-4-3-7-26(18-22)41-31(34,35)36/h3-4,7-13,18-19,25,37H,1-2,5-6,14-17,20H2,(H,38,40)
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76n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186771
PNG
(CHEMBL211139 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C1(CCN(CC1)C1CCCC1)NCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C31H35ClFN3O2/c1-38-27-8-4-5-23(19-27)22-9-11-24(12-10-22)31(15-17-36(18-16-31)26-6-2-3-7-26)34-21-30(37)35-25-13-14-29(33)28(32)20-25/h4-5,8-14,19-20,26,34H,2-3,6-7,15-18,21H2,1H3,(H,35,37)
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77n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186783
PNG
(4'-[1-(1-benzyl-piperidin-4-yl)-3-(5-fluoro-6-trif...)
Show SMILES Fc1cc2[nH]c(CCC(C3CCN(Cc4ccccc4)CC3)c3ccc(cc3)-c3cccc(c3)C#N)nc2cc1C(F)(F)F
Show InChI InChI=1S/C36H32F4N4/c37-32-21-34-33(20-31(32)36(38,39)40)42-35(43-34)14-13-30(28-15-17-44(18-16-28)23-24-5-2-1-3-6-24)27-11-9-26(10-12-27)29-8-4-7-25(19-29)22-41/h1-12,19-21,28,30H,13-18,23H2,(H,42,43)
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92n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186819
PNG
(CHEMBL384676 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1cccc(c1)-c1ccc(cc1)C1(CCN(CC1)C1CCCC1)NCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C30H32ClF2N3O/c31-27-19-25(12-13-28(27)33)35-29(37)20-34-30(14-16-36(17-15-30)26-6-1-2-7-26)23-10-8-21(9-11-23)22-4-3-5-24(32)18-22/h3-5,8-13,18-19,26,34H,1-2,6-7,14-17,20H2,(H,35,37)
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99n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186796
PNG
(CHEMBL378269 | N-(4-chloro-3-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1cc(NC(=O)CCC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)ccc1Cl
Show InChI InChI=1S/C33H33ClF3N3O/c34-30-13-12-27(21-29(30)33(35,36)37)39-31(41)14-15-32(16-18-40(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-38/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,39,41)
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128n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186768
PNG
(CHEMBL212750 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1cc(F)cc(c1)-c1ccc(cc1)C1(CCN(CC1)C1CCCC1)NCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C30H31ClF3N3O/c31-27-18-25(9-10-28(27)34)36-29(38)19-35-30(11-13-37(14-12-30)26-3-1-2-4-26)22-7-5-20(6-8-22)21-15-23(32)17-24(33)16-21/h5-10,15-18,26,35H,1-4,11-14,19H2,(H,36,38)
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141n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186776
PNG
(CHEMBL210344 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2ccccc2F)cc1Cl
Show InChI InChI=1S/C30H32ClF2N3O/c31-26-19-23(13-14-28(26)33)35-29(37)20-34-30(15-17-36(18-16-30)24-5-1-2-6-24)22-11-9-21(10-12-22)25-7-3-4-8-27(25)32/h3-4,7-14,19,24,34H,1-2,5-6,15-18,20H2,(H,35,37)
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178n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186810
PNG
(CHEMBL210436 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C1(CCN(CC1)C1CCCC1)NCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C30H32ClF2N3O/c31-27-19-25(13-14-28(27)33)35-29(37)20-34-30(15-17-36(18-16-30)26-3-1-2-4-26)23-9-5-21(6-10-23)22-7-11-24(32)12-8-22/h5-14,19,26,34H,1-4,15-18,20H2,(H,35,37)
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180n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186799
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-methanesulfonyl-pi...)
Show SMILES CS(=O)(=O)N1CCC(CCC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H27F2N3O3S/c1-37(35,36)33-15-13-28(14-16-33,12-11-27(34)32-24-9-10-25(29)26(30)18-24)23-7-5-21(6-8-23)22-4-2-3-20(17-22)19-31/h2-10,17-18H,11-16H2,1H3,(H,32,34)
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190n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186807
PNG
(3-[4-(3'-cyano-biphenyl-4-yl)-1-diethylsulfamoyl-p...)
Show SMILES CCN(CC)S(=O)(=O)N1CCC(CCC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C31H34F2N4O3S/c1-3-36(4-2)41(39,40)37-18-16-31(17-19-37,15-14-30(38)35-27-12-13-28(32)29(33)21-27)26-10-8-24(9-11-26)25-7-5-6-23(20-25)22-34/h5-13,20-21H,3-4,14-19H2,1-2H3,(H,35,38)
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193n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186769
PNG
(2-(4-biphenyl-4-yl-1-cyclopentyl-piperidin-4-ylami...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C30H33ClFN3O/c31-27-20-25(14-15-28(27)32)34-29(36)21-33-30(16-18-35(19-17-30)26-8-4-5-9-26)24-12-10-23(11-13-24)22-6-2-1-3-7-22/h1-3,6-7,10-15,20,26,33H,4-5,8-9,16-19,21H2,(H,34,36)
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241n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186774
PNG
(4-(3'-cyano-biphenyl-4-yl)-4-[2-(3,4-difluoro-phen...)
Show SMILES CCOC(=O)N1CCC(CCC(=O)Nc2ccc(F)c(F)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H29F2N3O3/c1-2-38-29(37)35-16-14-30(15-17-35,13-12-28(36)34-25-10-11-26(31)27(32)19-25)24-8-6-22(7-9-24)23-5-3-4-21(18-23)20-33/h3-11,18-19H,2,12-17H2,1H3,(H,34,36)
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249n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186797
PNG
(CHEMBL210818 | N-(3-chloro-4-fluoro-phenyl)-2-[1-c...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C31H32ClF4N3O/c32-27-19-25(12-13-28(27)33)38-29(40)20-37-30(14-16-39(17-15-30)26-6-1-2-7-26)23-10-8-21(9-11-23)22-4-3-5-24(18-22)31(34,35)36/h3-5,8-13,18-19,26,37H,1-2,6-7,14-17,20H2,(H,38,40)
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281n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50186795
PNG
(CHEMBL378009 | N-(3-chloro-4-fluoro-phenyl)-2-[4-(...)
Show SMILES Fc1ccc(NC(=O)CNC2(CCN(CC2)C2CCCC2)c2ccc(cc2)-c2ccc(cc2)C#N)cc1Cl
Show InChI InChI=1S/C31H32ClFN4O/c32-28-19-26(13-14-29(28)33)36-30(38)21-35-31(15-17-37(18-16-31)27-3-1-2-4-27)25-11-9-24(10-12-25)23-7-5-22(20-34)6-8-23/h5-14,19,27,35H,1-4,15-18,21H2,(H,36,38)
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523n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.061
BindingDB Entry DOI: 10.7270/Q2251HT9
More data for this
Ligand-Target Pair
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