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Compile Data Set for Download or QSAR

Found 1227 hits with Last Name = 'stroud' and Initial = 'sg'   
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
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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0.300n/an/an/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP


ACS Med Chem Lett 6: 630-4 (2015)


Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182065
PNG
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1
Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33)
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0.580n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182064
PNG
(CHEMBL383117 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C26H36BrClN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)
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0.830n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182072
PNG
(CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1
Show InChI InChI=1S/C25H32BrFN4O2/c1-3-31-13-11-17(12-14-31)16-29-25(28)30-24(32)21-5-4-6-22(27)20(21)9-7-18-15-19(26)8-10-23(18)33-2/h4-6,8,10,15,17H,3,7,9,11-14,16H2,1-2H3,(H3,28,29,30,32)
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2.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182077
PNG
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1
Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32)
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3.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182073
PNG
(CHEMBL205468 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C26H36BrFN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)
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4.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182083
PNG
(CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C29H34BrFN4O2/c1-35(20-21-9-4-3-5-10-21)18-7-6-17-33-29(32)34-28(36)25-11-8-12-26(31)24(25)15-13-22-19-23(30)14-16-27(22)37-2/h3-5,8-12,14,16,19H,6-7,13,15,17-18,20H2,1-2H3,(H3,32,33,34,36)
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5.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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7n/an/an/an/an/an/an/an/a



Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP


ACS Med Chem Lett 6: 630-4 (2015)


Article DOI: 10.1021/ml500409n
BindingDB Entry DOI: 10.7270/Q2WS8W1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182068
PNG
(CHEMBL208376 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C24H35BrN4O2S/c1-5-29(6-2)14-7-8-17(3)27-24(26)28-23(30)20-13-15-32-22(20)12-9-18-16-19(25)10-11-21(18)31-4/h10-11,13,15-17H,5-9,12,14H2,1-4H3,(H3,26,27,28,30)
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11n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182067
PNG
(CHEMBL439158 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC1CCNCC1
Show InChI InChI=1S/C23H28BrFN4O2/c1-31-21-8-6-17(24)13-16(21)5-7-18-19(3-2-4-20(18)25)22(30)29-23(26)28-14-15-9-11-27-12-10-15/h2-4,6,8,13,15,27H,5,7,9-12,14H2,1H3,(H3,26,28,29,30)
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13n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182078
PNG
(CHEMBL382833 | N-(4-diethylamino-1-methyl-butyl)-N...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H39FN4O3/c1-6-32(7-2)15-9-10-19(3)30-27(29)31-26(33)24-11-8-12-25(28)23(24)14-13-20-16-21(34-4)18-22(17-20)35-5/h8,11-12,16-19H,6-7,9-10,13-15H2,1-5H3,(H3,29,30,31,33)
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14n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182076
PNG
(CHEMBL383120 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCC2CCCCC2C1
Show InChI InChI=1S/C30H40BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h6,9-10,12,14,19,21,23H,2-5,7-8,11,13,15-18,20H2,1H3,(H3,33,34,35,37)
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21n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182062
PNG
(CHEMBL205214 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C30H34BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h2-3,6-10,12,14,19H,4-5,11,13,15-18,20H2,1H3,(H3,33,34,35,37)
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26n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182060
PNG
(CHEMBL204670 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1cccc2ccccc12
Show InChI InChI=1S/C33H36BrFN4O2/c1-39(22-25-11-7-10-23-9-3-4-12-27(23)25)20-6-5-19-37-33(36)38-32(40)29-13-8-14-30(35)28(29)17-15-24-21-26(34)16-18-31(24)41-2/h3-4,7-14,16,18,21H,5-6,15,17,19-20,22H2,1-2H3,(H3,36,37,38,40)
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57n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182080
PNG
(CHEMBL206316 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCN(C)CC1
Show InChI InChI=1S/C25H33BrFN5O2/c1-31-13-15-32(16-14-31)12-4-11-29-25(28)30-24(33)21-5-3-6-22(27)20(21)9-7-18-17-19(26)8-10-23(18)34-2/h3,5-6,8,10,17H,4,7,9,11-16H2,1-2H3,(H3,28,29,30,33)
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64n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182058
PNG
(CHEMBL206141 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCNC1CCCCC1
Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-14-12-19(27)17-18(24)11-13-21-22(9-5-10-23(21)28)25(33)32-26(29)31-16-6-15-30-20-7-3-2-4-8-20/h5,9-10,12,14,17,20,30H,2-4,6-8,11,13,15-16H2,1H3,(H3,29,31,32,33)
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80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182070
PNG
(CHEMBL205553 | N-(4-diethylamino-1-methyl-butyl)-N...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12
Show InChI InChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35)
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89n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182074
PNG
(CHEMBL206367 | N-{2-[2-(5-bromo-2-chloro-phenyl)-e...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl
Show InChI InChI=1S/C25H33BrClFN4O/c1-4-32(5-2)15-7-8-17(3)30-25(29)31-24(33)21-9-6-10-23(28)20(21)13-11-18-16-19(26)12-14-22(18)27/h6,9-10,12,14,16-17H,4-5,7-8,11,13,15H2,1-3H3,(H3,29,30,31,33)
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110n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148972
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)c(C)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-14-15(2)24(3)21(23-14)19-8-6-5-7-16(19)9-10-17-13-18(22)11-12-20(17)25-4/h5-8,11-13H,9-10H2,1-4H3
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140n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148974
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrClN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
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180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148977
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1ncc(C)n1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-22-20(23(14)2)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182061
PNG
(CHEMBL208268 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCN1CCCC1
Show InChI InChI=1S/C23H28BrFN4O2/c1-31-21-10-8-17(24)15-16(21)7-9-18-19(5-4-6-20(18)25)22(30)28-23(26)27-11-14-29-12-2-3-13-29/h4-6,8,10,15H,2-3,7,9,11-14H2,1H3,(H3,26,27,28,30)
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190n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148976
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)cn1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-23(2)20(22-14)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
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270n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148967
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C
Show InChI InChI=1S/C19H18BrClN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9-12H,6,8H2,1-2H3
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300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148969
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C20H20BrClN2O/c1-3-24-12-11-23-20(24)17-5-4-6-18(22)16(17)9-7-14-13-15(21)8-10-19(14)25-2/h4-6,8,10-13H,3,7,9H2,1-2H3
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310n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148978
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cnc(-c2ccccc2CCc2cc(Br)ccc2OC)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
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320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148973
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrFN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
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320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148983
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
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340n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148981
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrFN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
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620n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148971
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C
Show InChI InChI=1S/C21H22BrClN2O/c1-14(2)25-12-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-13-16(22)8-10-20(15)26-3/h4-6,8,10-14H,7,9H2,1-3H3
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670n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148984
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cn(C)c(n1)-c1ccccc1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-24(2)21(23-18)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
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690n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182063
PNG
(CHEMBL379918 | N-(4-diethylamino-1-methyl-butyl)-N...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C29H37FN4O/c1-4-34(5-2)19-9-10-21(3)32-29(31)33-28(35)26-13-8-14-27(30)25(26)18-16-22-15-17-23-11-6-7-12-24(23)20-22/h6-8,11-15,17,20-21H,4-5,9-10,16,18-19H2,1-3H3,(H3,31,32,33,35)
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690n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182069
PNG
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)
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700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182075
PNG
(CHEMBL208366 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC(C)C
Show InChI InChI=1S/C21H25BrFN3O2/c1-13(2)12-25-21(24)26-20(27)17-5-4-6-18(23)16(17)9-7-14-11-15(22)8-10-19(14)28-3/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H3,24,25,26,27)
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770n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182085
PNG
(2-(2-(5-bromo-2-methoxyphenethyl)-3-chlorophenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1
Show InChI InChI=1S/C18H18BrClN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)
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840n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to hERG


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182081
PNG
(CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC
Show InChI InChI=1S/C25H34BrFN4O3/c1-5-31(6-2)14-8-9-17(3)29-25(28)30-24(32)20-10-7-11-21(27)23(20)34-16-18-15-19(26)12-13-22(18)33-4/h7,10-13,15,17H,5-6,8-9,14,16H2,1-4H3,(H3,28,29,30,32)
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900n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182066
PNG
(CHEMBL205552 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCCCN=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H25BrFN3O2/c1-3-4-12-25-21(24)26-20(27)17-6-5-7-18(23)16(17)10-8-14-13-15(22)9-11-19(14)28-2/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,24,25,26,27)
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920n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148980
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H22BrClN2O/c1-3-12-25-13-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-14-16(22)8-10-20(15)26-2/h4-6,8,10-11,13-14H,3,7,9,12H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148970
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc[nH]1
Show InChI InChI=1S/C18H16BrClN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8-11H,5,7H2,1H3,(H,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148975
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(cn1C)C(C)C
Show InChI InChI=1S/C22H25BrN2O/c1-15(2)20-14-25(3)22(24-20)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-21(17)26-4/h5-8,11-15H,9-10H2,1-4H3
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1.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148968
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1
Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-10-8-17(23)13-16(21)7-9-18-19(3-2-4-20(18)24)22-25-11-12-26(22)14-15-5-6-15/h2-4,8,10-13,15H,5-7,9,14H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148979
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCC(C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C22H24BrClN2O/c1-4-15(2)26-13-12-25-22(26)19-6-5-7-20(24)18(19)10-8-16-14-17(23)9-11-21(16)27-3/h5-7,9,11-15H,4,8,10H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182071
PNG
(CHEMBL205898 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(NC(C)C)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C29H42BrFN4O2/c1-7-35(8-2)18-10-11-21(5)33-29(32-20(3)4)34-28(36)25-12-9-13-26(31)24(25)16-14-22-19-23(30)15-17-27(22)37-6/h9,12-13,15,17,19-21H,7-8,10-11,14,16,18H2,1-6H3,(H2,32,33,34,36)
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2.50E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182079
PNG
(CHEMBL208367 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCC1CCCCC1
Show InChI InChI=1S/C25H31BrFN3O2/c1-32-23-13-11-19(26)16-18(23)10-12-20-21(8-5-9-22(20)27)24(31)30-25(28)29-15-14-17-6-3-2-4-7-17/h5,8-9,11,13,16-17H,2-4,6-7,10,12,14-15H2,1H3,(H3,28,29,30,31)
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2.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182069
PNG
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N
Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)
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3.15E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to hERG


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182082
PNG
(CHEMBL208329 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)Nc1ccccc1
Show InChI InChI=1S/C32H40BrFN4O2/c1-5-38(6-2)21-11-12-23(3)35-32(36-26-13-8-7-9-14-26)37-31(39)28-15-10-16-29(34)27(28)19-17-24-22-25(33)18-20-30(24)40-4/h7-10,13-16,18,20,22-23H,5-6,11-12,17,19,21H2,1-4H3,(H2,35,36,37,39)
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4.10E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182084
PNG
(CHEMBL381085 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(NC)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C27H38BrFN4O2/c1-6-33(7-2)17-9-10-19(3)31-27(30-4)32-26(34)23-11-8-12-24(29)22(23)15-13-20-18-21(28)14-16-25(20)35-5/h8,11-12,14,16,18-19H,6-7,9-10,13,15,17H2,1-5H3,(H2,30,31,32,34)
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6.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148982
PNG
(4-Bromo-2-{2-[2-chloro-6-(1-methyl-1H-imidazol-2-y...)
Show SMILES Cn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1O
Show InChI InChI=1S/C18H16BrClN2O/c1-22-10-9-21-18(22)15-3-2-4-16(20)14(15)7-5-12-11-13(19)6-8-17(12)23/h2-4,6,8-11,23H,5,7H2,1H3
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9.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182059
PNG
(CHEMBL205813 | N-{2-[2-(2-chloro-phenyl)-ethyl]-3-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccccc1Cl
Show InChI InChI=1S/C25H34ClFN4O/c1-4-31(5-2)17-9-10-18(3)29-25(28)30-24(32)21-12-8-14-23(27)20(21)16-15-19-11-6-7-13-22(19)26/h6-8,11-14,18H,4-5,9-10,15-17H2,1-3H3,(H3,28,29,30,32)
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2.60E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50339608
PNG
(3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 54: 1836-46 (2011)


Article DOI: 10.1021/jm101479y
BindingDB Entry DOI: 10.7270/Q2DB824F
More data for this
Ligand-Target Pair
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