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Compile Data Set for Download or QSAR

Found 713 hits with Last Name = 'iyengar' and Initial = 'rr'   
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))
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


(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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n/an/a 3n/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: 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))
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


(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))
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 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))
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


(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))
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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n/an/a 4n/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: 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))
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


(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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n/an/a 4n/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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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: 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))
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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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))
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
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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n/an/a 5n/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))
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
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
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
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
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))
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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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
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
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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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))
BDBM20726
PNG
((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1
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n/an/a 9n/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))
BDBM20718
PNG
((1R,2R)-2-({4-[4-({[2-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)22-6-1-2-7-23(22)32-26(36)31-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(33)20-4-3-5-21(20)25(34)35/h1-2,6-15,20-21H,3-5H2,(H,34,35)(H2,31,32,36)/t20-,21-/m1/s1
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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))
BDBM20724
PNG
((1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amin...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)cc1
Show InChI InChI=1S/C27H26N2O5/c1-34-22-15-13-21(14-16-22)29-27(33)28-20-11-9-18(10-12-20)17-5-7-19(8-6-17)25(30)23-3-2-4-24(23)26(31)32/h5-16,23-24H,2-4H2,1H3,(H,31,32)(H2,28,29,33)/t23-,24-/m1/s1
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n/an/a 9n/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))
BDBM50202683
PNG
(CHEMBL216524 | N-(1-(benzo[d]oxazol-6-ylmethyl)pip...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ncoc3c2)CC1
Show InChI InChI=1S/C23H20FN3O4/c24-15-2-3-17-19(28)11-22(31-20(17)10-15)23(29)26-16-5-7-27(8-6-16)12-14-1-4-18-21(9-14)30-13-25-18/h1-4,9-11,13,16H,5-8,12H2,(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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20719
PNG
((1R,2R)-2-({4-[4-({[3-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-3-1-4-21(15-19)32-26(36)31-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(33)22-5-2-6-23(22)25(34)35/h1,3-4,7-15,22-23H,2,5-6H2,(H,34,35)(H2,31,32,36)/t22-,23-/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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20720
PNG
((1R,2R)-2-{[4-(4-{[(3-fluorophenyl)carbamoyl]amino...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN2O4/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 11n/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))
BDBM50201271
PNG
(7-fluoro-4-oxo-N-(1-(2-oxo-3,5,6,7-tetrahydro-2H-i...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3oc(=O)[nH]c3cc12
Show InChI InChI=1S/C25H22FN3O5/c26-14-2-3-16-20(30)12-23(33-21(16)10-14)24(31)27-15-5-7-29(8-6-15)19-4-1-13-9-22-18(11-17(13)19)28-25(32)34-22/h2-3,9-12,15,19H,1,4-8H2,(H,27,31)(H,28,32)
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n/an/a 11n/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: 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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM20726
PNG
((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/m1/s1
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n/an/a 14n/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))
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM20718
PNG
((1R,2R)-2-({4-[4-({[2-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)22-6-1-2-7-23(22)32-26(36)31-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(33)20-4-3-5-21(20)25(34)35/h1-2,6-15,20-21H,3-5H2,(H,34,35)(H2,31,32,36)/t20-,21-/m1/s1
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n/an/a 16n/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))
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM20719
PNG
((1R,2R)-2-({4-[4-({[3-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O4/c28-27(29,30)19-3-1-4-21(15-19)32-26(36)31-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(33)22-5-2-6-23(22)25(34)35/h1,3-4,7-15,22-23H,2,5-6H2,(H,34,35)(H2,31,32,36)/t22-,23-/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))
BDBM50202686
PNG
(7-fluoro-4-oxo-N-(1-((3-oxo-3,4-dihydro-2H-benzo[b...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H22FN3O5/c25-15-2-3-17-19(29)11-22(33-21(17)10-15)24(31)26-16-5-7-28(8-6-16)12-14-1-4-20-18(9-14)27-23(30)13-32-20/h1-4,9-11,16H,5-8,12-13H2,(H,26,31)(H,27,30)
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n/an/a 19n/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


(Mus musculus (mouse))
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
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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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))
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


(Homo sapiens (Human))
BDBM50201275
PNG
(7-fluoro-4-oxo-N-(1-(3-oxo-2,3,4,6,7,8-hexahydroin...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2cc3OCC(=O)Nc3cc12
Show InChI InChI=1S/C26H24FN3O5/c27-15-2-3-17-21(31)12-24(35-22(17)10-15)26(33)28-16-5-7-30(8-6-16)20-4-1-14-9-23-19(11-18(14)20)29-25(32)13-34-23/h2-3,9-12,16,20H,1,4-8,13H2,(H,28,33)(H,29,32)
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n/an/a 21n/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: 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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
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
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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n/an/a 21n/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))
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
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
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 24n/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))
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


(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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM20724
PNG
((1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amin...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)cc1
Show InChI InChI=1S/C27H26N2O5/c1-34-22-15-13-21(14-16-22)29-27(33)28-20-11-9-18(10-12-20)17-5-7-19(8-6-17)25(30)23-3-2-4-24(23)26(31)32/h5-16,23-24H,2-4H2,1H3,(H,31,32)(H2,28,29,33)/t23-,24-/m1/s1
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n/an/a 28n/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))
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


(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


(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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20725
PNG
((1R,2R)-2-{[4-(4-{[(4-cyanophenyl)carbamoyl]amino}...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H23N3O4/c28-16-17-4-12-21(13-5-17)29-27(34)30-22-14-10-19(11-15-22)18-6-8-20(9-7-18)25(31)23-2-1-3-24(23)26(32)33/h4-15,23-24H,1-3H2,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1
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n/an/a 35n/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))
BDBM50202678
PNG
(CHEMBL216180 | N-(1-((1H-indol-5-yl)methyl)piperid...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C24H22FN3O3/c25-17-2-3-19-21(29)13-23(31-22(19)12-17)24(30)27-18-6-9-28(10-7-18)14-15-1-4-20-16(11-15)5-8-26-20/h1-5,8,11-13,18,26H,6-7,9-10,14H2,(H,27,30)
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n/an/a 38n/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


(Mus musculus (mouse))
BDBM20720
PNG
((1R,2R)-2-{[4-(4-{[(3-fluorophenyl)carbamoyl]amino...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H23FN2O4/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 39n/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))
BDBM50202676
PNG
(7-fluoro-4-oxo-N-(1-((2-oxo-2,3-dihydrobenzo[d]oxa...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3oc(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C23H20FN3O5/c24-14-2-3-16-18(28)11-21(31-20(16)10-14)22(29)25-15-5-7-27(8-6-15)12-13-1-4-19-17(9-13)26-23(30)32-19/h1-4,9-11,15H,5-8,12H2,(H,25,29)(H,26,30)
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n/an/a 43n/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))
BDBM50202674
PNG
(CHEMBL269352 | N-(1-(3-acetamidobenzyl)piperidin-4...)
Show SMILES CC(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C24H24FN3O4/c1-15(29)26-19-4-2-3-16(11-19)14-28-9-7-18(8-10-28)27-24(31)23-13-21(30)20-6-5-17(25)12-22(20)32-23/h2-6,11-13,18H,7-10,14H2,1H3,(H,26,29)(H,27,31)
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n/an/a 47n/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
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