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Compile Data Set for Download or QSAR

Found 865 hits with Last Name = 'iyengar' and Initial = 'r'   
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


(Homo sapiens (Human))
BDBM50202681
PNG
(7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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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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


(Homo sapiens (Human))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50171590
PNG
(CHEMBL194697 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES Clc1ccc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O3S/c25-17-2-3-20(27-13-23-26-7-10-33-23)19(12-17)24(30)28-18-5-8-29(9-6-18)14-16-1-4-21-22(11-16)32-15-31-21/h1-4,7,10-12,18,27H,5-6,8-9,13-15H2,(H,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173460
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C23H24N2O5/c1-27-17-3-5-20-18(11-17)19(12-23(26)30-20)24-16-6-8-25(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21/h2-5,10-12,16,24H,6-9,13-14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197135
PNG
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197143
PNG
(CHEMBL277531 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Cc1c(oc2cc(Cl)ccc2c1=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23ClN2O5/c1-14-22(28)18-4-3-16(25)11-20(18)32-23(14)24(29)26-17-6-8-27(9-7-17)12-15-2-5-19-21(10-15)31-13-30-19/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173461
PNG
(4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197116
PNG
(CHEMBL217706 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21BrN2O5/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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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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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


(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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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


(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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50202682
PNG
(7-fluoro-N-(1-((1-methyl-2-oxo-1,2-dihydroquinolin...)
Show SMILES Cn1c2cc(CN3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)ccc2ccc1=O
Show InChI InChI=1S/C26H24FN3O4/c1-29-21-12-16(2-3-17(21)4-7-25(29)32)15-30-10-8-19(9-11-30)28-26(33)24-14-22(31)20-6-5-18(27)13-23(20)34-24/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197144
PNG
(CHEMBL387418 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20ClFN2O5/c24-16-9-20-15(8-17(16)25)18(28)10-22(32-20)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173454
PNG
(4-(1-Benzooxazol-5-ylmethyl-piperidin-4-ylamino)-6...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5ocnc5c4)CC3)c2c1
Show InChI InChI=1S/C22H20ClN3O3/c23-15-2-4-20-17(10-15)18(11-22(27)29-20)25-16-5-7-26(8-6-16)12-14-1-3-21-19(9-14)24-13-28-21/h1-4,9-11,13,16,25H,5-8,12H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197124
PNG
(CHEMBL217789 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21ClN2O5/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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197111
PNG
(CHEMBL213715 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES FC(F)Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H22F2N2O6/c25-24(26)33-16-2-3-17-18(29)11-22(34-20(17)10-16)23(30)27-15-5-7-28(8-6-15)12-14-1-4-19-21(9-14)32-13-31-19/h1-4,9-11,15,24H,5-8,12-13H2,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(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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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


(Homo sapiens (Human))
BDBM50202677
PNG
(CHEMBL216104 | N-(1-(benzo[b]thiophen-5-ylmethyl)p...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3sccc3c2)CC1
Show InChI InChI=1S/C24H21FN2O3S/c25-17-2-3-19-20(28)13-22(30-21(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-23-16(11-15)7-10-31-23/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197113
PNG
(CHEMBL214731 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197113
PNG
(CHEMBL214731 | N-(1-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173465
PNG
(6-Methoxy-4-[1-(3-phenyl-allyl)-piperidin-4-ylamin...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(C\C=C\c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C24H26N2O3/c1-28-20-9-10-23-21(16-20)22(17-24(27)29-23)25-19-11-14-26(15-12-19)13-5-8-18-6-3-2-4-7-18/h2-10,16-17,19,25H,11-15H2,1H3/b8-5+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50185041
PNG
(CHEMBL380429 | N-(4-phenoxyphenyl)-N'-[1-(2-azepan...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCCC3)ncc2c1
Show InChI InChI=1S/C28H31N5O2/c34-28(30-23-10-13-26(14-11-23)35-25-8-4-3-5-9-25)31-24-12-15-27-22(20-24)21-29-33(27)19-18-32-16-6-1-2-7-17-32/h3-5,8-15,20-21H,1-2,6-7,16-19H2,(H2,30,31,34)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50202687
PNG
(CHEMBL274168 | N-(1-((1H-indol-6-yl)methyl)piperid...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C24H22FN3O3/c25-17-3-4-19-21(29)13-23(31-22(19)12-17)24(30)27-18-6-9-28(10-7-18)14-15-1-2-16-5-8-26-20(16)11-15/h1-5,8,11-13,18,26H,6-7,9-10,14H2,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197109
PNG
(CHEMBL387417 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N
Show InChI InChI=1S/C24H21N3O5/c25-12-15-1-3-18-19(28)11-23(32-21(18)9-15)24(29)26-17-5-7-27(8-6-17)13-16-2-4-20-22(10-16)31-14-30-20/h1-4,9-11,17H,5-8,13-14H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197124
PNG
(CHEMBL217789 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21ClN2O5/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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50185044
PNG
(CHEMBL383078 | N-(4-phenoxyphenyl)-N'-[1-(2-piperi...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCC3)ncc2c1
Show InChI InChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20722
PNG
((1R,2R)-2-({4-[4-({[2-fluoro-5-(trifluoromethyl)ph...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C27H22F4N2O4/c28-22-13-10-18(27(29,30)31)14-23(22)33-26(37)32-19-11-8-16(9-12-19)15-4-6-17(7-5-15)24(34)20-2-1-3-21(20)25(35)36/h4-14,20-21H,1-3H2,(H,35,36)(H2,32,33,37)/t20-,21-/m1/s1
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Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50201273
PNG
(CHEMBL214585 | N-(1-(6,7-dihydro-5H-indeno[5,6-d][...)
Show SMILES Fc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(CC1)C1CCc2cc3OCOc3cc12
Show InChI InChI=1S/C25H23FN2O5/c26-15-2-4-21-18(10-15)20(29)12-24(33-21)25(30)27-16-5-7-28(8-6-16)19-3-1-14-9-22-23(11-17(14)19)32-13-31-22/h2,4,9-12,16,19H,1,3,5-8,13H2,(H,27,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197120
PNG
(CHEMBL217593 | N-[1-[(4-methoxybenzyl)methyl]piper...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-5-2-15(3-6-18)14-26-10-8-17(9-11-26)25-23(28)22-13-20(27)19-7-4-16(24)12-21(19)30-22/h2-7,12-13,17H,8-11,14H2,1H3,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197137
PNG
(CHEMBL217707 | N-[1-[(2,2-difluoro-1,3-benzodioxol...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OC(F)(F)Oc3c2)CC1
Show InChI InChI=1S/C23H19F3N2O5/c24-14-2-3-16-17(29)11-21(31-19(16)10-14)22(30)27-15-5-7-28(8-6-15)12-13-1-4-18-20(9-13)33-23(25,26)32-18/h1-4,9-11,15H,5-8,12H2,(H,27,30)
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n/an/a 5.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50185042
PNG
(CHEMBL206081 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)12-23(32-21(18)11-17)24(28)25-16-6-8-26(9-7-16)13-15-2-5-20-22(10-15)31-14-30-20/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,25,28)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20721
PNG
((1R,2R)-2-{[4-(4-{[(3-chlorophenyl)carbamoyl]amino...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H23ClN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1
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n/an/a 6n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173452
PNG
(4-(1-Benzo[b]thiophen-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5sccc5c4)CC3)c2c1
Show InChI InChI=1S/C23H21ClN2O2S/c24-17-2-3-21-19(12-17)20(13-23(27)28-21)25-18-5-8-26(9-6-18)14-15-1-4-22-16(11-15)7-10-29-22/h1-4,7,10-13,18,25H,5-6,8-9,14H2
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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n/an/a 6.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197114
PNG
(CHEMBL214767 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C23H22N2O5/c26-18-12-22(30-19-4-2-1-3-17(18)19)23(27)24-16-7-9-25(10-8-16)13-15-5-6-20-21(11-15)29-14-28-20/h1-6,11-12,16H,7-10,13-14H2,(H,24,27)
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n/an/a 6.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50202684
PNG
(CHEMBL216554 | N-(1-(benzofuran-5-ylmethyl)piperid...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3occc3c2)CC1
Show InChI InChI=1S/C24H21FN2O4/c25-17-2-3-19-20(28)13-23(31-22(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-21-16(11-15)7-10-30-21/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50202675
PNG
(7-fluoro-4-oxo-N-(1-((2-oxo-1,2-dihydroquinolin-7-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C25H22FN3O4/c26-17-4-5-19-21(30)13-23(33-22(19)12-17)25(32)27-18-7-9-29(10-8-18)14-15-1-2-16-3-6-24(31)28-20(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,32)(H,28,31)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20716
PNG
((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
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n/an/a 7n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20727
PNG
((1R,2R)-2-[(4-{4-[(2H-1,3-benzodioxol-5-ylcarbamoy...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1 |r|
Show InChI InChI=1S/C27H24N2O6/c30-25(21-2-1-3-22(21)26(31)32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)28-27(33)29-20-12-13-23-24(14-20)35-15-34-23/h4-14,21-22H,1-3,15H2,(H,31,32)(H2,28,29,33)/t21-,22-/m1/s1
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n/an/a 7n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173459
PNG
(6-Chloro-4-[1-(1H-indol-5-ylmethyl)-piperidin-4-yl...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5[nH]ccc5c4)CC3)c2c1
Show InChI InChI=1S/C23H22ClN3O2/c24-17-2-4-22-19(12-17)21(13-23(28)29-22)26-18-6-9-27(10-7-18)14-15-1-3-20-16(11-15)5-8-25-20/h1-5,8,11-13,18,25-26H,6-7,9-10,14H2
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197131
PNG
(CHEMBL214377 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES CCc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H26N2O5/c1-2-16-3-5-19-20(28)13-24(32-22(19)11-16)25(29)26-18-7-9-27(10-8-18)14-17-4-6-21-23(12-17)31-15-30-21/h3-6,11-13,18H,2,7-10,14-15H2,1H3,(H,26,29)
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n/an/a 7.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
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