Found 52 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50182065
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25| 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) | PDB
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1 |w:7.6| 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) | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25| 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) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1 |w:23.25| 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) | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50182068
(CHEMBL208376 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC |w:10.9| 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) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL439158 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC1CCNCC1 |w:23.25| 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) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL383120 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCC2CCCCC2C1 |w:23.25| 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) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL205214 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCc2ccccc2C1 |w:23.25| 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) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL204670 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1cccc2ccccc12 |w:23.25| 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) | PDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL206316 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCN(C)CC1 |w:23.25| 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) | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL206141 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCNC1CCCCC1 |w:23.25| 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) | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL205553 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 |w:10.9| 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) | PDB
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| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50182061
(CHEMBL208268 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCN1CCCC1 |w:23.25| 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) | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50182063
(CHEMBL379918 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1 |w:10.9| 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) | PDB
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| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)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) | PDB
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| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL208366 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC(C)C |w:23.25| 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) | PDB
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| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2-(2-(5-bromo-2-methoxyphenethyl)-3-chlorophenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1 |t:20| 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) | PDB
MMDB
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| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC |w:10.9| 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) | PDB
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL205552 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCCCN=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:4.3| 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) | PDB
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| 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50182071
(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 |w:10.9| 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) | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL208367 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCC1CCCCC1 |w:23.25| 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) | PDB
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| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)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) | PDB
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| 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:10.9| 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) | PDB
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| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50182059
(CHEMBL205813 | N-{2-[2-(2-chloro-phenyl)-ethyl]-3-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccccc1Cl |w:10.9| 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) | PDB
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| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL439158 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC1CCNCC1 |w:23.25| 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) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182065
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25| 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) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1 |w:7.6| 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) | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(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 |w:10.9| 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) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(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 |w:10.9| 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) | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1 |w:23.25| 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) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182068
(CHEMBL208376 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC |w:10.9| 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) | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(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 |w:10.9| 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) | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25| 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) | PDB
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL383120 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCC2CCCCC2C1 |w:23.25| 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) | PDB
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| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182081
(CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC |w:10.9| 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) | PDB
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| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL205214 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCc2ccccc2C1 |w:23.25| 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) | PDB
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(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 |w:10.9| 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) | PDB
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| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL206316 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCN(C)CC1 |w:23.25| 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) | PDB
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| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL204670 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1cccc2ccccc12 |w:23.25| 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) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL205553 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 |w:10.9| 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) | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182063
(CHEMBL379918 | N-(4-diethylamino-1-methyl-butyl)-N...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1 |w:10.9| 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) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)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) | PDB
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| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182061
(CHEMBL208268 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCN1CCCC1 |w:23.25| 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) | PDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL206141 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCNC1CCCCC1 |w:23.25| 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) | PDB
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| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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
(CHEMBL208366 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC(C)C |w:23.25| 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) | PDB
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| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182071
(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 |w:10.9| 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) | PDB
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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)) | BDBM50182059
(CHEMBL205813 | N-{2-[2-(2-chloro-phenyl)-ethyl]-3-...)Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccccc1Cl |w:10.9| 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) | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity against MC4R by cAMP functional 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 | |
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