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Compile Data Set for Download or QSAR

Found 588 hits with Last Name = 'domalski' and Initial = 'm'   
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
Metabotropic glutamate receptor


(RAT)
BDBM50224406
PNG
(9-(4-chlorophenyl)-2,3-dihydro-3(R)-methyl-1H-pyri...)
Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224407
PNG
(2,3-dihydro-9-(4-methoxyphenyl)-3(R)-methyl-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
Show InChI InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3/t10-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224391
PNG
(9-(4-chlorophenyl)-2,3-dihydro-1H-pyrimido[4'',5''...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224392
PNG
(9-(4-chlorophenyl)-2,3-dihydro-2(S)-methyl-1H-pyri...)
Show SMILES C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224395
PNG
(2,3-dihydro-9-(4-methylphenyl)-1H-pyrimido[4'',5''...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C18H14N4O2S/c1-10-2-4-11(5-3-10)22-9-21-15-13-14-12(24-7-6-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224400
PNG
(2,3-dihydro-3(R)-methyl-9-(4-methylphenyl)-1H-pyri...)
Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
Show InChI InChI=1S/C19H16N4O2S/c1-10-3-5-12(6-4-10)23-9-22-16-14-15-13(25-11(2)7-20-15)8-21-18(14)26-17(16)19(23)24/h3-6,8-9,11,20H,7H2,1-2H3/t11-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224405
PNG
(2,3-dihydro-9-(4-methoxyphenyl)-1H-pyrimido[4'',5'...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224396
PNG
(9-(4-chlorophenyl)-2,3-dihydro-3(S)-methyl-1H-pyri...)
Show SMILES C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186824
PNG
(4'-[1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H22F4N4/c29-22-14-24-23(13-21(22)28(30,31)32)35-25(36-24)27(16-26(27)8-10-34-11-9-26)20-6-4-18(5-7-20)19-3-1-2-17(12-19)15-33/h1-7,12-14,34H,8-11,16H2,(H,35,36)
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1.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224402
PNG
(8-(4-chlorophenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C17H9ClN4OS/c18-10-1-3-11(4-2-10)22-8-21-14-12-13-9(5-6-19-13)7-20-16(12)24-15(14)17(22)23/h1-8,19H
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170617
PNG
(1-(3'-cyano-biphenyl-4-yl)-1-(1-cyclopentyl-piperi...)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H30Cl2N4O/c31-24-17-25(32)19-26(18-24)34-30(37)36(29-12-14-35(15-13-29)27-6-1-2-7-27)28-10-8-22(9-11-28)23-5-3-4-21(16-23)20-33/h3-5,8-11,16-19,27,29H,1-2,6-7,12-15H2,(H,34,37)
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2.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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


(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


(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


(Homo sapiens (Human))
BDBM50186837
PNG
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(5.53,-27.52,;4.76,-28.85,;3.23,-28.86,;2.47,-30.18,;.96,-30.5,;.81,-32.03,;2.21,-32.66,;3.23,-31.51,;4.77,-31.52,;5.54,-30.19,;7.08,-30.19,;8.62,-30.18,;7.08,-31.73,;7.08,-28.65,;-.53,-32.81,;-.52,-34.35,;-1.86,-35.11,;-1.86,-36.64,;-.53,-37.42,;-.53,-38.96,;-1.87,-39.72,;-3.41,-39.72,;-2.64,-41.06,;.8,-36.65,;.81,-35.1,;-1.86,-32.04,;-3.2,-32.81,;-4.53,-32.04,;-4.53,-30.5,;-3.2,-29.73,;-1.87,-30.49,;-5.86,-29.73,;-7.19,-30.5,;-8.52,-29.73,;-8.53,-28.19,;-7.19,-27.42,;-5.86,-28.18,;-7.19,-25.87,;-7.19,-24.33,)|
Show InChI InChI=1S/C31H26F4N4/c32-26-16-28-27(15-25(26)31(33,34)35)37-30(38-28)29(23-10-12-39(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-36/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,37,38)
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3.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186841
PNG
(4'-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCNCC1)c1ccc(cc1)-c1cccc(c1)C#N |(25.89,-15.32,;25.13,-16.65,;23.6,-16.65,;22.83,-17.98,;21.33,-18.3,;21.17,-19.83,;22.58,-20.46,;23.6,-19.31,;25.13,-19.31,;25.9,-17.98,;27.44,-17.98,;28.98,-17.98,;27.44,-19.52,;27.44,-16.44,;19.84,-20.6,;19.84,-22.14,;18.5,-22.9,;18.5,-24.44,;19.83,-25.21,;21.17,-24.44,;21.17,-22.9,;18.5,-19.84,;17.17,-20.61,;15.83,-19.84,;15.83,-18.29,;17.16,-17.52,;18.5,-18.29,;14.5,-17.52,;13.18,-18.29,;11.84,-17.53,;11.84,-15.98,;13.17,-15.21,;14.5,-15.98,;13.16,-13.67,;13.16,-12.13,)|
Show InChI InChI=1S/C27H20F4N4/c28-22-14-24-23(13-21(22)27(29,30)31)34-26(35-24)25(19-8-10-33-11-9-19)18-6-4-17(5-7-18)20-3-1-2-16(12-20)15-32/h1-7,12-14,33H,8-11H2,(H,34,35)
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3.60n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186831
PNG
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...)
Show SMILES Fc1ccc(cc1-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1)C#N |(-5.09,-2.07,;-5.09,-.53,;-6.43,.23,;-6.43,1.78,;-5.1,2.55,;-3.77,1.78,;-3.77,.24,;-2.44,-.53,;-2.44,-2.07,;-1.1,-2.85,;.23,-2.07,;.23,-.52,;-1.11,.24,;1.57,-2.84,;2.9,-2.07,;4.31,-2.69,;5.33,-1.55,;6.86,-1.55,;7.63,-.22,;6.86,1.11,;7.62,2.45,;5.33,1.11,;4.56,-.22,;3.06,-.54,;9.17,-.22,;10.71,-.22,;9.17,-1.76,;9.17,1.32,;1.57,-4.38,;.23,-5.14,;.23,-6.68,;1.56,-7.45,;1.56,-8.99,;.22,-9.76,;-1.31,-9.76,;-.55,-11.09,;2.9,-6.68,;2.9,-5.14,;-5.1,4.1,;-5.1,5.64,)|
Show InChI InChI=1S/C31H25F5N4/c32-25-8-3-19(16-37)13-23(25)20-4-6-21(7-5-20)29(22-9-11-40(12-10-22)17-18-1-2-18)30-38-27-14-24(31(34,35)36)26(33)15-28(27)39-30/h3-8,13-15,18H,1-2,9-12,17H2,(H,38,39)
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3.90n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(Homo sapiens (Human))
BDBM50186834
PNG
(4'-[6-cyclopropylmethyl-1-(5-fluoro-6-trifluoromet...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C32H28F4N4/c33-26-16-28-27(15-25(26)32(34,35)36)38-29(39-28)31(19-30(31)10-12-40(13-11-30)18-20-4-5-20)24-8-6-22(7-9-24)23-3-1-2-21(14-23)17-37/h1-3,6-9,14-16,20H,4-5,10-13,18-19H2,(H,38,39)
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4.80n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(Homo sapiens (Human))
BDBM50186854
PNG
(4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)
Show SMILES OCCN1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(.26,-46.09,;.27,-44.55,;1.6,-43.78,;1.6,-42.24,;.27,-41.47,;.27,-39.93,;1.61,-39.17,;2.94,-39.93,;2.94,-41.47,;1.61,-37.63,;2.94,-36.86,;4.35,-37.48,;5.37,-36.34,;6.9,-36.34,;7.67,-35.01,;6.9,-33.68,;7.67,-32.34,;5.37,-33.68,;4.61,-35,;3.1,-35.33,;9.21,-35.01,;10.75,-35.01,;9.21,-36.55,;9.21,-33.47,;.28,-36.86,;-1.06,-37.63,;-2.39,-36.86,;-2.39,-35.32,;-1.06,-34.55,;.27,-35.31,;-3.73,-34.55,;-5.05,-35.32,;-6.38,-34.56,;-6.39,-33.01,;-5.05,-32.24,;-3.72,-33.01,;-5.06,-30.7,;-5.06,-29.16,)|
Show InChI InChI=1S/C29H24F4N4O/c30-24-16-26-25(15-23(24)29(31,32)33)35-28(36-26)27(21-8-10-37(11-9-21)12-13-38)20-6-4-19(5-7-20)22-3-1-2-18(14-22)17-34/h1-7,14-16,38H,8-13H2,(H,35,36)
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7.20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224397
PNG
(9-dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
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7.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224409
PNG
(9-(4-chlorophenyl)-2,3-dihydro-2(R)-methyl-1H-pyri...)
Show SMILES C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186849
PNG
(5-{4-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncc(c1)C#N |(27.19,2.64,;26.42,1.3,;24.89,1.3,;24.13,-.03,;22.62,-.35,;22.46,-1.88,;23.87,-2.51,;24.89,-1.36,;26.42,-1.36,;27.19,-.03,;28.73,-.03,;30.27,-.03,;28.73,-1.57,;28.73,1.51,;21.13,-2.65,;21.13,-4.19,;19.79,-4.95,;19.79,-6.49,;21.12,-7.26,;21.12,-8.8,;19.78,-9.57,;18.25,-9.57,;19.02,-10.91,;22.46,-6.49,;22.46,-4.95,;19.79,-1.88,;18.46,-2.66,;17.12,-1.89,;17.13,-.34,;18.46,.43,;19.79,-.34,;15.79,.43,;14.47,-.34,;13.14,.42,;13.13,1.97,;14.47,2.74,;15.8,1.97,;14.47,4.29,;14.47,5.83,)|
Show InChI InChI=1S/C30H25F4N5/c31-25-13-27-26(12-24(25)30(32,33)34)37-29(38-27)28(22-7-9-39(10-8-22)17-18-1-2-18)21-5-3-20(4-6-21)23-11-19(14-35)15-36-16-23/h3-6,11-13,15-16,18H,1-2,7-10,17H2,(H,37,38)
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186846
PNG
(4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)
Show SMILES Cn1cccc1C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(-.55,-49.12,;-1.7,-48.09,;-3.2,-48.41,;-3.97,-47.07,;-2.94,-45.93,;-1.54,-46.55,;-.2,-45.79,;1.13,-46.56,;-.2,-44.25,;-1.53,-43.47,;-1.53,-41.94,;-.19,-41.18,;1.14,-41.93,;1.14,-43.48,;-.19,-39.64,;1.14,-38.86,;2.55,-39.49,;3.57,-38.34,;5.1,-38.34,;5.87,-37.02,;5.1,-35.68,;5.86,-34.35,;3.57,-35.69,;2.8,-37.01,;1.3,-37.33,;7.41,-37.02,;8.95,-37.01,;7.41,-38.56,;7.41,-35.48,;-1.53,-38.87,;-2.86,-39.64,;-4.2,-38.87,;-4.19,-37.32,;-2.87,-36.55,;-1.53,-37.32,;-5.53,-36.55,;-6.85,-37.32,;-8.19,-36.56,;-8.19,-35.01,;-6.86,-34.24,;-5.52,-35.01,;-6.86,-32.71,;-6.86,-31.17,)|
Show InChI InChI=1S/C33H25F4N5O/c1-41-13-3-6-29(41)32(43)42-14-11-23(12-15-42)30(22-9-7-21(8-10-22)24-5-2-4-20(16-24)19-38)31-39-27-17-25(33(35,36)37)26(34)18-28(27)40-31/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,39,40)
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186826
PNG
(4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benz...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C35H28F4N4/c36-29-19-31-30(18-28(29)35(37,38)39)41-32(42-31)34(27-11-9-25(10-12-27)26-8-4-7-24(17-26)20-40)22-33(34)13-15-43(16-14-33)21-23-5-2-1-3-6-23/h1-12,17-19H,13-16,21-22H2,(H,41,42)
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224393
PNG
(8-(4-chlorophenyl)-1h-imidazo[4'',5'':4',5']pyrido...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4[nH]cnc4c23)c1=O
Show InChI InChI=1S/C16H8ClN5OS/c17-8-1-3-9(4-2-8)22-7-21-13-11-12-10(19-6-20-12)5-18-15(11)24-14(13)16(22)23/h1-7H,(H,19,20)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50401677
PNG
(CHEMBL2205377)
Show SMILES COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3
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13.4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50120157
PNG
(C-[(R)-C-((R)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...)
Show SMILES N[C@@H]([C@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m1/s1
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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 ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a conce...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50401676
PNG
(CHEMBL2205915)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)
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14.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186835
PNG
(4'-[6-(2-diethylamino-ethyl)-1-(5-fluoro-6-trifluo...)
Show SMILES CCN(CC)CCN1CCC2(CC2(c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C34H35F4N5/c1-3-42(4-2)16-17-43-14-12-32(13-15-43)22-33(32,26-10-8-24(9-11-26)25-7-5-6-23(18-25)21-39)31-40-29-19-27(34(36,37)38)28(35)20-30(29)41-31/h5-11,18-20H,3-4,12-17,22H2,1-2H3,(H,40,41)
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15n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186830
PNG
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cccc(c1)C#N |(7.77,-.56,;6.23,-.56,;5.46,-1.89,;3.93,-1.89,;2.91,-3.04,;1.5,-2.41,;1.66,-.88,;3.17,-.56,;3.93,.77,;5.46,.77,;6.23,2.1,;.17,-3.18,;.17,-4.72,;-1.16,-5.48,;-1.17,-7.02,;.17,-7.79,;.16,-9.33,;-1.17,-10.1,;-2.71,-10.1,;-1.94,-11.44,;1.5,-7.02,;1.51,-5.48,;-1.16,-2.41,;-2.5,-3.19,;-3.83,-2.42,;-3.83,-.87,;-2.5,-.1,;-1.17,-.87,;-5.16,-.1,;-6.49,-.87,;-7.82,-.11,;-7.83,1.44,;-6.49,2.21,;-5.16,1.44,;-6.49,3.75,;-6.49,5.29,)|
Show InChI InChI=1S/C30H26Cl2N4/c31-25-15-27-28(16-26(25)32)35-30(34-27)29(23-10-12-36(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-33/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,34,35)
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15n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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


(Homo sapiens (Human))
BDBM50186847
PNG
(2-{4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluo...)
Show SMILES NC(=O)CN1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(20.24,-46.14,;20.24,-44.6,;18.91,-43.83,;21.58,-43.83,;21.58,-42.29,;20.25,-41.52,;20.25,-39.98,;21.59,-39.22,;22.92,-39.98,;22.92,-41.52,;21.59,-37.68,;22.92,-36.91,;24.33,-37.53,;25.35,-36.39,;26.88,-36.39,;27.65,-35.06,;26.88,-33.73,;27.64,-32.39,;25.35,-33.73,;24.58,-35.06,;23.08,-35.38,;29.19,-35.06,;30.73,-35.06,;29.19,-36.6,;29.19,-33.52,;20.25,-36.91,;18.92,-37.69,;17.58,-36.91,;17.58,-35.37,;18.91,-34.6,;20.25,-35.36,;16.25,-34.6,;14.93,-35.37,;13.59,-34.61,;13.59,-33.06,;14.92,-32.29,;16.26,-33.06,;14.92,-30.75,;14.92,-29.21,)|
Show InChI InChI=1S/C29H23F4N5O/c30-23-14-25-24(13-22(23)29(31,32)33)36-28(37-25)27(20-8-10-38(11-9-20)16-26(35)39)19-6-4-18(5-7-19)21-3-1-2-17(12-21)15-34/h1-7,12-14H,8-11,16H2,(H2,35,39)(H,36,37)
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16n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224390
PNG
(8-(4-methylphenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3
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17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224403
PNG
(8-(4-methylphenyl)-1H-pyrazolo[3'',4'':4',5']pyrid...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
Show InChI InChI=1S/C17H11N5OS/c1-9-2-4-11(5-3-9)22-8-19-14-12-13-10(7-20-21-13)6-18-16(12)24-15(14)17(22)23/h2-8H,1H3,(H,20,21)
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18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
Metabotropic glutamate receptor


(RAT)
BDBM50224401
PNG
(8-(4-chlorophenyl)-1h-pyrazolo[3'',4'':4',5']pyrid...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4c[nH]nc4c23)c1=O
Show InChI InChI=1S/C16H8ClN5OS/c17-9-1-3-10(4-2-9)22-7-19-13-11-12-8(6-20-21-12)5-18-15(11)24-14(13)16(22)23/h1-7H,(H,20,21)
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186823
PNG
(4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC1)C(=O)c1cccs1)c1ccc(cc1)-c1cccc(c1)C#N |(26.9,-17.52,;26.14,-18.86,;24.61,-18.86,;23.84,-20.19,;22.34,-20.51,;22.18,-22.04,;23.59,-22.66,;24.61,-21.52,;26.14,-21.52,;26.91,-20.19,;28.45,-20.19,;29.99,-20.19,;28.45,-21.73,;28.45,-18.65,;20.85,-22.81,;20.85,-24.35,;19.51,-25.11,;19.51,-26.65,;20.84,-27.42,;22.18,-26.65,;22.18,-25.11,;20.84,-28.96,;22.17,-29.73,;19.5,-29.73,;18.1,-29.1,;17.07,-30.25,;17.83,-31.58,;19.34,-31.27,;19.51,-22.04,;18.17,-22.81,;16.84,-22.04,;16.84,-20.5,;18.17,-19.73,;19.51,-20.49,;15.51,-19.73,;14.19,-20.5,;12.85,-19.74,;12.85,-18.19,;14.18,-17.42,;15.51,-18.19,;14.17,-15.88,;14.17,-14.34,)|
Show InChI InChI=1S/C32H22F4N4OS/c33-25-17-27-26(16-24(25)32(34,35)36)38-30(39-27)29(22-10-12-40(13-11-22)31(41)28-5-2-14-42-28)21-8-6-20(7-9-21)23-4-1-3-19(15-23)18-37/h1-9,14-17H,10-13H2,(H,38,39)
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20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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
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