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PubMed code 21190859

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333594
PNG
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)
Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
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n/an/a 0.670n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333604
PNG
(1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(ben...)
Show SMILES CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1
Show InChI InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333616
PNG
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50162116
PNG
(2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...)
Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333611
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl](methyl...)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333618
PNG
(4-[(3-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 1.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333617
PNG
(1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}-4-{[4-(tri...)
Show SMILES FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-3-19(4-6-20)18-33-23-11-14-30(24(31)17-23)21-7-9-22(10-8-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 2.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333614
PNG
(4-[(3-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 2.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333604
PNG
(1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(ben...)
Show SMILES CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1
Show InChI InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
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n/an/a 3.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333618
PNG
(4-[(3-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 4.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333603
PNG
(4-(Benzyloxy)-1-{4-[2-(diisopropylamino)ethoxy]-ph...)
Show SMILES CC(C)N(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)C(C)C
Show InChI InChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3
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n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333613
PNG
(4-[(2-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1
Show InChI InChI=1S/C24H25FN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
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n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333596
PNG
(4-(Benzyloxy)-1-{4-[2-(piperidin-1-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2
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n/an/a 4.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333603
PNG
(4-(Benzyloxy)-1-{4-[2-(diisopropylamino)ethoxy]-ph...)
Show SMILES CC(C)N(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)C(C)C
Show InChI InChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3
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n/an/a 5.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50150715
PNG
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1
Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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n/an/a 5.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 5.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333607
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpiperidin-2-yl)methox...)
Show SMILES CN1CCCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333597
PNG
(4-(Benzyloxy)-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phen...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2
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n/an/a 5.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333596
PNG
(4-(Benzyloxy)-1-{4-[2-(piperidin-1-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2
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n/an/a 5.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333614
PNG
(4-[(3-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 5.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333602
PNG
(4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3
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n/an/a 6.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333617
PNG
(1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}-4-{[4-(tri...)
Show SMILES FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-3-19(4-6-20)18-33-23-11-14-30(24(31)17-23)21-7-9-22(10-8-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 6.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333610
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}-...)
Show SMILES CCN(CC)CCNc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H29N3O2/c1-3-26(4-2)17-15-25-21-10-12-22(13-11-21)27-16-14-23(18-24(27)28)29-19-20-8-6-5-7-9-20/h5-14,16,18,25H,3-4,15,17,19H2,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333610
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}-...)
Show SMILES CCN(CC)CCNc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H29N3O2/c1-3-26(4-2)17-15-25-21-10-12-22(13-11-21)27-16-14-23(18-24(27)28)29-19-20-8-6-5-7-9-20/h5-14,16,18,25H,3-4,15,17,19H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333616
PNG
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333594
PNG
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)
Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
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n/an/a 7.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333597
PNG
(4-(Benzyloxy)-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phen...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2
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n/an/a 8.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333613
PNG
(4-[(2-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1
Show InChI InChI=1S/C24H25FN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
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n/an/a 8.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 9n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333608
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-2-yl)metho...)
Show SMILES CN1CCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333601
PNG
(4-(Benzyloxy)-1-{4-[2-(dimethylamino)ethoxy]phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3
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n/an/a 9.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333602
PNG
(4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333609
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-3-yl)oxy]-...)
Show SMILES CN1CCC(C1)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C23H24N2O3/c1-24-13-11-22(16-24)28-20-9-7-19(8-10-20)25-14-12-21(15-23(25)26)27-17-18-5-3-2-4-6-18/h2-10,12,14-15,22H,11,13,16-17H2,1H3
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n/an/a>10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333601
PNG
(4-(Benzyloxy)-1-{4-[2-(dimethylamino)ethoxy]phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3
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n/an/a>10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50333600
PNG
(4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C24H26N2O4/c27-24-18-23(30-19-20-4-2-1-3-5-20)10-11-26(24)21-6-8-22(9-7-21)29-17-14-25-12-15-28-16-13-25/h1-11,18H,12-17,19H2
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n/an/a>10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanes...

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333616
PNG
(4-[(4-Methoxybenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333620
PNG
(4-[(2-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1
Show InChI InChI=1S/C24H25ClN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
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n/an/a 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333608
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-2-yl)metho...)
Show SMILES CN1CCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333611
PNG
(4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl](methyl...)
Show SMILES CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)18-17-26(3)22-11-13-23(14-12-22)28-16-15-24(19-25(28)29)30-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333615
PNG
(4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25ClN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 17n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333607
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpiperidin-2-yl)methox...)
Show SMILES CN1CCCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333601
PNG
(4-(Benzyloxy)-1-{4-[2-(dimethylamino)ethoxy]phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333609
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-3-yl)oxy]-...)
Show SMILES CN1CCC(C1)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C23H24N2O3/c1-24-13-11-22(16-24)28-20-9-7-19(8-10-20)25-14-12-21(15-23(25)26)27-17-18-5-3-2-4-6-18/h2-10,12,14-15,22H,11,13,16-17H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333596
PNG
(4-(Benzyloxy)-1-{4-[2-(piperidin-1-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H28N2O3/c28-25-19-24(30-20-21-7-3-1-4-8-21)13-16-27(25)22-9-11-23(12-10-22)29-18-17-26-14-5-2-6-15-26/h1,3-4,7-13,16,19H,2,5-6,14-15,17-18,20H2
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n/an/a 19n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333603
PNG
(4-(Benzyloxy)-1-{4-[2-(diisopropylamino)ethoxy]-ph...)
Show SMILES CC(C)N(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)C(C)C
Show InChI InChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333614
PNG
(4-[(3-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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n/an/a 22n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333608
PNG
(4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-2-yl)metho...)
Show SMILES CN1CCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H26N2O3/c1-25-14-5-8-21(25)18-29-22-11-9-20(10-12-22)26-15-13-23(16-24(26)27)28-17-19-6-3-2-4-7-19/h2-4,6-7,9-13,15-16,21H,5,8,14,17-18H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50301081
PNG
(4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333600
PNG
(4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C24H26N2O4/c27-24-18-23(30-19-20-4-2-1-3-5-20)10-11-26(24)21-6-8-22(9-7-21)29-17-14-25-12-15-28-16-13-25/h1-11,18H,12-17,19H2
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n/an/a 24n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333602
PNG
(4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333597
PNG
(4-(Benzyloxy)-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phen...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C24H26N2O3/c27-24-18-23(29-19-20-6-2-1-3-7-20)12-15-26(24)21-8-10-22(11-9-21)28-17-16-25-13-4-5-14-25/h1-3,6-12,15,18H,4-5,13-14,16-17,19H2
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n/an/a 27n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333613
PNG
(4-[(2-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)e...)
Show SMILES Fc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1
Show InChI InChI=1S/C24H25FN2O3/c25-23-6-2-1-5-19(23)18-30-22-11-14-27(24(28)17-22)20-7-9-21(10-8-20)29-16-15-26-12-3-4-13-26/h1-2,5-11,14,17H,3-4,12-13,15-16,18H2
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n/an/a 30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333600
PNG
(4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]pheny...)
Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C24H26N2O4/c27-24-18-23(30-19-20-4-2-1-3-5-20)10-11-26(24)21-6-8-22(9-7-21)29-17-14-25-12-15-28-16-13-25/h1-11,18H,12-17,19H2
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n/an/a 34n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333617
PNG
(1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}-4-{[4-(tri...)
Show SMILES FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-3-19(4-6-20)18-33-23-11-14-30(24(31)17-23)21-7-9-22(10-8-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
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n/an/a 49n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333605
PNG
(4-(Benzyloxy)-1-(4-{[1-(dimethylamino)propan-2-yl]...)
Show SMILES CC(CN(C)C)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C23H26N2O3/c1-18(16-24(2)3)28-21-11-9-20(10-12-21)25-14-13-22(15-23(25)26)27-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333599
PNG
(4-[2-(4-Fluorophenoxy)ethoxy]-1-{4-[2-(pyrrolidin-...)
Show SMILES Fc1ccc(OCCOc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H27FN2O4/c26-20-3-7-22(8-4-20)31-17-18-32-24-11-14-28(25(29)19-24)21-5-9-23(10-6-21)30-16-15-27-12-1-2-13-27/h3-11,14,19H,1-2,12-13,15-18H2
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n/an/a 150n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333594
PNG
(4-(Naphthalen-2-ylmethoxy)-1-{4-[2-(pyrrolidin-1-y...)
Show SMILES O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28-20-27(33-21-22-7-8-23-5-1-2-6-24(23)19-22)13-16-30(28)25-9-11-26(12-10-25)32-18-17-29-14-3-4-15-29/h1-2,5-13,16,19-20H,3-4,14-15,17-18,21H2
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n/an/a 175n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333606
PNG
(4-(Benzyloxy)-1-(4-{[1-(dimethylamino)-2-methylpro...)
Show SMILES CN(C)CC(C)(C)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C24H28N2O3/c1-24(2,18-25(3)4)29-21-12-10-20(11-13-21)26-15-14-22(16-23(26)27)28-17-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333621
PNG
(4-(Biphenyl-4-ylmethoxy)-1-{4-[2-(pyrrolidin-1-yl)...)
Show SMILES O=c1cc(OCc2ccc(cc2)-c2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C30H30N2O3/c33-30-22-29(35-23-24-8-10-26(11-9-24)25-6-2-1-3-7-25)16-19-32(30)27-12-14-28(15-13-27)34-21-20-31-17-4-5-18-31/h1-3,6-16,19,22H,4-5,17-18,20-21,23H2
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n/an/a 640n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333598
PNG
(4-[2-(4-Fluorophenyl)ethoxy]-1-{4-[2-(pyrrolidin-1...)
Show SMILES Fc1ccc(CCOc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C25H27FN2O3/c26-21-5-3-20(4-6-21)12-17-30-24-11-15-28(25(29)19-24)22-7-9-23(10-8-22)31-18-16-27-13-1-2-14-27/h3-11,15,19H,1-2,12-14,16-18H2
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n/an/a 650n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333595
PNG
(4-(4-Fluorophenoxy)-1-{4-[2-(piperidin-1-yl)ethoxy...)
Show SMILES Fc1ccc(Oc2ccn(-c3ccc(OCCN4CCCCC4)cc3)c(=O)c2)cc1
Show InChI InChI=1S/C24H25FN2O3/c25-19-4-8-22(9-5-19)30-23-12-15-27(24(28)18-23)20-6-10-21(11-7-20)29-17-16-26-13-2-1-3-14-26/h4-12,15,18H,1-3,13-14,16-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333619
PNG
(4-(4-Fluorophenyl)-1-{4-[2-(piperidin-1-yl)ethoxy]...)
Show SMILES Fc1ccc(cc1)-c1ccn(-c2ccc(OCCN3CCCCC3)cc2)c(=O)c1
Show InChI InChI=1S/C24H25FN2O2/c25-21-6-4-19(5-7-21)20-12-15-27(24(28)18-20)22-8-10-23(11-9-22)29-17-16-26-13-2-1-3-14-26/h4-12,15,18H,1-3,13-14,16-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50333612
PNG
(CHEMBL1642494 | Methyl N-{4-[4-(benzyloxy)-2-oxopy...)
Show SMILES CCN(CC)CCN(C(=O)OC)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C26H31N3O4/c1-4-27(5-2)17-18-29(26(31)32-3)23-13-11-22(12-14-23)28-16-15-24(19-25(28)30)33-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay

Bioorg Med Chem 19: 883-93 (2011)


Article DOI: 10.1016/j.bmc.2010.12.002
BindingDB Entry DOI: 10.7270/Q2GT5NFT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%