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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50019786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207679
PNG
(CHEMBL246258 | N-(1-(2-chloro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
Show InChI InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207681
PNG
(CHEMBL248297 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H35F2N3O4/c31-22-6-7-24-26(36)19-29(39-28(24)18-22)30(37)33-23-9-14-35(15-10-23)20-21-5-8-27(25(32)17-21)38-16-4-13-34-11-2-1-3-12-34/h5-8,17-19,23H,1-4,9-16,20H2,(H,33,37)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197139
PNG
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207674
PNG
(CHEMBL245844 | N-(1-(4-(3-(2,4-dioxothiazolidin-3-...)
Show SMILES Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H27F2N3O6S/c29-18-3-4-20-22(34)14-25(39-24(20)13-18)27(36)31-19-6-9-32(10-7-19)15-17-2-5-23(21(30)12-17)38-11-1-8-33-26(35)16-40-28(33)37/h2-5,12-14,16,19,35H,1,6-11,15H2,(H,31,36)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207684
PNG
(CHEMBL246050 | N-(1-(4-((2-(piperidin-1-yl)ethyl)c...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCCCC2)CC1
Show InChI InChI=1S/C30H35FN4O4/c31-23-8-9-25-26(36)19-28(39-27(25)18-23)30(38)33-24-10-15-35(16-11-24)20-21-4-6-22(7-5-21)29(37)32-12-17-34-13-2-1-3-14-34/h4-9,18-19,24H,1-3,10-17,20H2,(H,32,37)(H,33,38)
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207677
PNG
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207675
PNG
(CHEMBL246464 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H34F2N4O4/c31-21-5-6-23-26(37)18-28(40-27(23)17-21)30(39)33-22-8-13-36(14-9-22)19-20-4-7-25(24(32)16-20)34-29(38)10-15-35-11-2-1-3-12-35/h4-7,16-18,22H,1-3,8-15,19H2,(H,33,39)(H,34,38)
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207673
PNG
(CHEMBL246259 | N-(1-(2-methoxy-4-((2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1CN1CCC(CC1)NC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C30H35FN4O5/c1-39-26-16-20(29(37)32-10-15-34-11-2-3-12-34)4-5-21(26)19-35-13-8-23(9-14-35)33-30(38)28-18-25(36)24-7-6-22(31)17-27(24)40-28/h4-7,16-18,23H,2-3,8-15,19H2,1H3,(H,32,37)(H,33,38)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207683
PNG
(CHEMBL245846 | N-(1-(3-fluoro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1
Show InChI InChI=1S/C29H32F2N4O4/c30-20-4-6-23-25(36)17-27(39-26(23)16-20)29(38)33-21-7-12-35(13-8-21)18-19-3-5-22(24(31)15-19)28(37)32-9-14-34-10-1-2-11-34/h3-6,15-17,21H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197139
PNG
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207676
PNG
(CHEMBL245642 | N-(1-(3-fluoro-4-(2-(methoxyimino)e...)
Show SMILES CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C25H25F2N3O5/c1-33-28-8-11-34-22-5-2-16(12-20(22)27)15-30-9-6-18(7-10-30)29-25(32)24-14-21(31)19-4-3-17(26)13-23(19)35-24/h2-5,8,12-14,18H,6-7,9-11,15H2,1H3,(H,29,32)/b28-8+
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207678
PNG
(CHEMBL247891 | N-(1-(4-(3-(dicyclopropylamino)prop...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN(C3CC3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C31H35F2N3O4/c32-21-3-8-25-27(37)18-30(40-29(25)17-21)31(38)34-22-10-13-35(14-11-22)19-20-2-9-28(26(33)16-20)39-15-1-12-36(23-4-5-23)24-6-7-24/h2-3,8-9,16-18,22-24H,1,4-7,10-15,19H2,(H,34,38)
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n/an/a 51n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207687
PNG
(CHEMBL247689 | N-(1-(3-fluoro-4-(2,2,2-trifluoroet...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1
Show InChI InChI=1S/C24H21F5N2O4/c25-15-2-3-17-19(32)11-22(35-21(17)10-15)23(33)30-16-5-7-31(8-6-16)12-14-1-4-20(18(26)9-14)34-13-24(27,28)29/h1-4,9-11,16H,5-8,12-13H2,(H,30,33)
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n/an/a 64n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207686
PNG
(CHEMBL246051 | N-(1-(4-((2-(4,4-difluoropiperidin-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCC(F)(F)CC2)CC1
Show InChI InChI=1S/C30H33F3N4O4/c31-22-5-6-24-25(38)18-27(41-26(24)17-22)29(40)35-23-7-12-37(13-8-23)19-20-1-3-21(4-2-20)28(39)34-11-16-36-14-9-30(32,33)10-15-36/h1-6,17-18,23H,7-16,19H2,(H,34,39)(H,35,40)
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n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207681
PNG
(CHEMBL248297 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H35F2N3O4/c31-22-6-7-24-26(36)19-29(39-28(24)18-22)30(37)33-23-9-14-35(15-10-23)20-21-5-8-27(25(32)17-21)38-16-4-13-34-11-2-1-3-12-34/h5-8,17-19,23H,1-4,9-16,20H2,(H,33,37)
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n/an/a 86n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207675
PNG
(CHEMBL246464 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H34F2N4O4/c31-21-5-6-23-26(37)18-28(40-27(23)17-21)30(39)33-22-8-13-36(14-9-22)19-20-4-7-25(24(32)16-20)34-29(38)10-15-35-11-2-1-3-12-35/h4-7,16-18,22H,1-3,8-15,19H2,(H,33,39)(H,34,38)
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207679
PNG
(CHEMBL246258 | N-(1-(2-chloro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
Show InChI InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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n/an/a 136n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207671
PNG
(CHEMBL247688 | N-(1-(4-(3-methoxy-3-methylbutoxy)b...)
Show SMILES COC(C)(C)CCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C28H33FN2O5/c1-28(2,34-3)12-15-35-22-7-4-19(5-8-22)18-31-13-10-21(11-14-31)30-27(33)26-17-24(32)23-9-6-20(29)16-25(23)36-26/h4-9,16-17,21H,10-15,18H2,1-3H3,(H,30,33)
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n/an/a 165n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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n/an/a 168n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207673
PNG
(CHEMBL246259 | N-(1-(2-methoxy-4-((2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1CN1CCC(CC1)NC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C30H35FN4O5/c1-39-26-16-20(29(37)32-10-15-34-11-2-3-12-34)4-5-21(26)19-35-13-8-23(9-14-35)33-30(38)28-18-25(36)24-7-6-22(31)17-27(24)40-28/h4-7,16-18,23H,2-3,8-15,19H2,1H3,(H,32,37)(H,33,38)
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n/an/a 270n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207683
PNG
(CHEMBL245846 | N-(1-(3-fluoro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1
Show InChI InChI=1S/C29H32F2N4O4/c30-20-4-6-23-25(36)17-27(39-26(23)16-20)29(38)33-21-7-12-35(13-8-21)18-19-3-5-22(24(31)15-19)28(37)32-9-14-34-10-1-2-11-34/h3-6,15-17,21H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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n/an/a 420n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207676
PNG
(CHEMBL245642 | N-(1-(3-fluoro-4-(2-(methoxyimino)e...)
Show SMILES CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C25H25F2N3O5/c1-33-28-8-11-34-22-5-2-16(12-20(22)27)15-30-9-6-18(7-10-30)29-25(32)24-14-21(31)19-4-3-17(26)13-23(19)35-24/h2-5,8,12-14,18H,6-7,9-11,15H2,1H3,(H,29,32)/b28-8+
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n/an/a 480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207684
PNG
(CHEMBL246050 | N-(1-(4-((2-(piperidin-1-yl)ethyl)c...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCCCC2)CC1
Show InChI InChI=1S/C30H35FN4O4/c31-23-8-9-25-26(36)19-28(39-27(25)18-23)30(38)33-24-10-15-35(16-11-24)20-21-4-6-22(7-5-21)29(37)32-12-17-34-13-2-1-3-14-34/h4-9,18-19,24H,1-3,10-17,20H2,(H,32,37)(H,33,38)
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n/an/a 519n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207674
PNG
(CHEMBL245844 | N-(1-(4-(3-(2,4-dioxothiazolidin-3-...)
Show SMILES Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H27F2N3O6S/c29-18-3-4-20-22(34)14-25(39-24(20)13-18)27(36)31-19-6-9-32(10-7-19)15-17-2-5-23(21(30)12-17)38-11-1-8-33-26(35)16-40-28(33)37/h2-5,12-14,16,19,35H,1,6-11,15H2,(H,31,36)
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n/an/a 545n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207678
PNG
(CHEMBL247891 | N-(1-(4-(3-(dicyclopropylamino)prop...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN(C3CC3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C31H35F2N3O4/c32-21-3-8-25-27(37)18-30(40-29(25)17-21)31(38)34-22-10-13-35(14-11-22)19-20-2-9-28(26(33)16-20)39-15-1-12-36(23-4-5-23)24-6-7-24/h2-3,8-9,16-18,22-24H,1,4-7,10-15,19H2,(H,34,38)
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n/an/a 740n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207677
PNG
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
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n/an/a 773n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207672
PNG
(CHEMBL248295 | N-(1-(3-fluoro-4-(2-(pyrrolidin-1-y...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCN3CCCC3)c(F)c2)CC1
Show InChI InChI=1S/C28H31F2N3O4/c29-20-4-5-22-24(34)17-27(37-26(22)16-20)28(35)31-21-7-11-33(12-8-21)18-19-3-6-25(23(30)15-19)36-14-13-32-9-1-2-10-32/h3-6,15-17,21H,1-2,7-14,18H2,(H,31,35)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207687
PNG
(CHEMBL247689 | N-(1-(3-fluoro-4-(2,2,2-trifluoroet...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1
Show InChI InChI=1S/C24H21F5N2O4/c25-15-2-3-17-19(32)11-22(35-21(17)10-15)23(33)30-16-5-7-31(8-6-16)12-14-1-4-20(18(26)9-14)34-13-24(27,28)29/h1-4,9-11,16H,5-8,12-13H2,(H,30,33)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207671
PNG
(CHEMBL247688 | N-(1-(4-(3-methoxy-3-methylbutoxy)b...)
Show SMILES COC(C)(C)CCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C28H33FN2O5/c1-28(2,34-3)12-15-35-22-7-4-19(5-8-22)18-31-13-10-21(11-14-31)30-27(33)26-17-24(32)23-9-6-20(29)16-25(23)36-26/h4-9,16-17,21H,10-15,18H2,1-3H3,(H,30,33)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207685
PNG
(CHEMBL394639 | N-(1-(3-fluoro-4-(2-(isobutoxyimino...)
Show SMILES CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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n/an/a 1.98E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207680
PNG
(CHEMBL247283 | N-(1-(3-fluoro-4-(2-morpholinoethox...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCN3CCOCC3)c(F)c2)CC1
Show InChI InChI=1S/C28H31F2N3O5/c29-20-2-3-22-24(34)17-27(38-26(22)16-20)28(35)31-21-5-7-33(8-6-21)18-19-1-4-25(23(30)15-19)37-14-11-32-9-12-36-13-10-32/h1-4,15-17,21H,5-14,18H2,(H,31,35)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207686
PNG
(CHEMBL246051 | N-(1-(4-((2-(4,4-difluoropiperidin-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCC(F)(F)CC2)CC1
Show InChI InChI=1S/C30H33F3N4O4/c31-22-5-6-24-25(38)18-27(41-26(24)17-22)29(40)35-23-7-12-37(13-8-23)19-20-1-3-21(4-2-20)28(39)34-11-16-36-14-9-30(32,33)10-15-36/h1-6,17-18,23H,7-16,19H2,(H,34,39)(H,35,40)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207676
PNG
(CHEMBL245642 | N-(1-(3-fluoro-4-(2-(methoxyimino)e...)
Show SMILES CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C25H25F2N3O5/c1-33-28-8-11-34-22-5-2-16(12-20(22)27)15-30-9-6-18(7-10-30)29-25(32)24-14-21(31)19-4-3-17(26)13-23(19)35-24/h2-5,8,12-14,18H,6-7,9-11,15H2,1H3,(H,29,32)/b28-8+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207678
PNG
(CHEMBL247891 | N-(1-(4-(3-(dicyclopropylamino)prop...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN(C3CC3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C31H35F2N3O4/c32-21-3-8-25-27(37)18-30(40-29(25)17-21)31(38)34-22-10-13-35(14-11-22)19-20-2-9-28(26(33)16-20)39-15-1-12-36(23-4-5-23)24-6-7-24/h2-3,8-9,16-18,22-24H,1,4-7,10-15,19H2,(H,34,38)
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n/an/a 4.01E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207671
PNG
(CHEMBL247688 | N-(1-(4-(3-methoxy-3-methylbutoxy)b...)
Show SMILES COC(C)(C)CCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C28H33FN2O5/c1-28(2,34-3)12-15-35-22-7-4-19(5-8-22)18-31-13-10-21(11-14-31)30-27(33)26-17-24(32)23-9-6-20(29)16-25(23)36-26/h4-9,16-17,21H,10-15,18H2,1-3H3,(H,30,33)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207686
PNG
(CHEMBL246051 | N-(1-(4-((2-(4,4-difluoropiperidin-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCC(F)(F)CC2)CC1
Show InChI InChI=1S/C30H33F3N4O4/c31-22-5-6-24-25(38)18-27(41-26(24)17-22)29(40)35-23-7-12-37(13-8-23)19-20-1-3-21(4-2-20)28(39)34-11-16-36-14-9-30(32,33)10-15-36/h1-6,17-18,23H,7-16,19H2,(H,34,39)(H,35,40)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207673
PNG
(CHEMBL246259 | N-(1-(2-methoxy-4-((2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1CN1CCC(CC1)NC(=O)c1cc(=O)c2ccc(F)cc2o1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C30H35FN4O5/c1-39-26-16-20(29(37)32-10-15-34-11-2-3-12-34)4-5-21(26)19-35-13-8-23(9-14-35)33-30(38)28-18-25(36)24-7-6-22(31)17-27(24)40-28/h4-7,16-18,23H,2-3,8-15,19H2,1H3,(H,32,37)(H,33,38)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207674
PNG
(CHEMBL245844 | N-(1-(4-(3-(2,4-dioxothiazolidin-3-...)
Show SMILES Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C28H27F2N3O6S/c29-18-3-4-20-22(34)14-25(39-24(20)13-18)27(36)31-19-6-9-32(10-7-19)15-17-2-5-23(21(30)12-17)38-11-1-8-33-26(35)16-40-28(33)37/h2-5,12-14,16,19,35H,1,6-11,15H2,(H,31,36)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207675
PNG
(CHEMBL246464 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(NC(=O)CCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H34F2N4O4/c31-21-5-6-23-26(37)18-28(40-27(23)17-21)30(39)33-22-8-13-36(14-9-22)19-20-4-7-25(24(32)16-20)34-29(38)10-15-35-11-2-1-3-12-35/h4-7,16-18,22H,1-3,8-15,19H2,(H,33,39)(H,34,38)
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n/an/a 9.18E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50207672
PNG
(CHEMBL248295 | N-(1-(3-fluoro-4-(2-(pyrrolidin-1-y...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCN3CCCC3)c(F)c2)CC1
Show InChI InChI=1S/C28H31F2N3O4/c29-20-4-5-22-24(34)17-27(37-26(22)16-20)28(35)31-21-7-11-33(12-8-21)18-19-3-6-25(23(30)15-19)36-14-13-32-9-1-2-10-32/h3-6,15-17,21H,1-2,7-14,18H2,(H,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207679
PNG
(CHEMBL246258 | N-(1-(2-chloro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
Show InChI InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197139
PNG
(CHEMBL214021 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207682
PNG
(CHEMBL247690 | N-(1-(3-fluoro-4-(3-morpholinopropo...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCOCC3)c(F)c2)CC1
Show InChI InChI=1S/C29H33F2N3O5/c30-21-3-4-23-25(35)18-28(39-27(23)17-21)29(36)32-22-6-9-34(10-7-22)19-20-2-5-26(24(31)16-20)38-13-1-8-33-11-14-37-15-12-33/h2-5,16-18,22H,1,6-15,19H2,(H,32,36)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207681
PNG
(CHEMBL248297 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H35F2N3O4/c31-22-6-7-24-26(36)19-29(39-28(24)18-22)30(37)33-23-9-14-35(15-10-23)20-21-5-8-27(25(32)17-21)38-16-4-13-34-11-2-1-3-12-34/h5-8,17-19,23H,1-4,9-16,20H2,(H,33,37)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207677
PNG
(CHEMBL248296 | N-(1-(4-(3-(dimethylamino)propoxy)-...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207684
PNG
(CHEMBL246050 | N-(1-(4-((2-(piperidin-1-yl)ethyl)c...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2)C(=O)NCCN2CCCCC2)CC1
Show InChI InChI=1S/C30H35FN4O4/c31-23-8-9-25-26(36)19-28(39-27(25)18-23)30(38)33-24-10-15-35(16-11-24)20-21-4-6-22(7-5-21)29(37)32-12-17-34-13-2-1-3-14-34/h4-9,18-19,24H,1-3,10-17,20H2,(H,32,37)(H,33,38)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
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