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PubMed code 17618123

Compile Data Set for Download or QSAR

Found 674 hits of Enzyme Inhibition Constant Data   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217731
PNG
(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(7.75,-.95,;7.77,-2.49,;9.12,-3.24,;9.14,-4.78,;10.49,-5.53,;10.51,-7.07,;11.8,-4.74,;13.15,-5.49,;14.47,-4.69,;14.45,-3.14,;15.79,-2.35,;15.77,-.8,;14.41,-.03,;14.4,1.51,;15.72,2.29,;17.06,1.52,;18.39,2.3,;18.37,3.85,;19.7,4.62,;17.03,4.6,;15.7,3.82,;13.08,-.83,;13.09,-2.39,;15.83,-5.45,;15.85,-7.01,;17.16,-4.66,;18.49,-5.39,;19.83,-4.62,;21.15,-5.38,;22.57,-4.71,;23.33,-3.37,;24.87,-3.36,;25.64,-4.69,;27.18,-4.68,;27.94,-3.34,;29.48,-3.32,;27.15,-2,;25.62,-2.02,;23.62,-5.84,;22.87,-7.18,;23.36,-8.63,;22.36,-9.79,;20.84,-9.49,;20.35,-8.04,;21.36,-6.88,;11.78,-3.2,;10.44,-2.45,;10.42,-.91,;11.74,-.12,)|
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
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630n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217709
PNG
((E)-N-(5-aminopentyl)-N-(2-chloro-3-phenylallyl)-4...)
Show SMILES NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H32ClN3O/c27-23(18-21-10-3-1-4-11-21)20-30(17-8-2-7-16-28)26(31)15-9-12-22-19-29-25-14-6-5-13-24(22)25/h1,3-6,10-11,13-14,18-19,29H,2,7-9,12,15-17,20,28H2/b23-18+
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770n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217678
PNG
(CHEMBL235582 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(CC(Br)=C)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.22,4.36,;18.9,3.59,;18.91,2.05,;17.59,1.27,;16.25,2.03,;14.92,1.25,;14.94,-.29,;16.29,-1.05,;16.31,-2.61,;14.97,-3.39,;13.61,-2.65,;13.61,-1.08,;15,-4.95,;13.64,-5.91,;12.13,-5.21,;12.12,-3.54,;10.77,-6.18,;16.35,-5.71,;16.38,-7.26,;17.68,-4.91,;19.02,-5.65,;20.36,-4.88,;21.68,-5.64,;23.09,-4.97,;24.14,-6.09,;23.39,-7.44,;23.88,-8.88,;22.88,-10.04,;21.37,-9.74,;20.88,-8.29,;21.89,-7.13,;16.23,3.56,;17.56,4.34,)|
Show InChI InChI=1S/C28H40BrN3O/c1-20(29)19-32(25-15-11-22(12-16-25)17-21-9-13-24(30)14-10-21)28(33)8-4-5-23-18-31-27-7-3-2-6-26(23)27/h2-3,6-7,18,21-22,24-25,31H,1,4-5,8-17,19,30H2
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810n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217783
PNG
((E)-N-(3-aminopropyl)-N-(2-methyl-3-phenylallyl)-1...)
Show SMILES C\C(CN(CCCN)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-17(14-18-8-3-2-4-9-18)16-25(13-7-12-23)22(26)20-15-24-21-11-6-5-10-19(20)21/h2-6,8-11,14-15,24H,7,12-13,16,23H2,1H3/b17-14+
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850n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50217783
PNG
((E)-N-(3-aminopropyl)-N-(2-methyl-3-phenylallyl)-1...)
Show SMILES C\C(CN(CCCN)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-17(14-18-8-3-2-4-9-18)16-25(13-7-12-23)22(26)20-15-24-21-11-6-5-10-19(20)21/h2-6,8-11,14-15,24H,7,12-13,16,23H2,1H3/b17-14+
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930n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217735
PNG
(CHEMBL236002 | N-(2-bromo-4,5-dimethoxycinnamyl)-4...)
Show SMILES COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)|
Show InChI InChI=1S/C43H54BrN3O4/c1-50-41-27-32(38(44)28-42(41)51-2)7-6-24-47(34-20-14-30(15-21-34)25-29-12-18-33(45)19-13-29)43(49)11-5-9-37-36-8-3-4-10-39(36)46-40(37)26-31-16-22-35(48)23-17-31/h3-4,6-8,10,16-17,22-23,27-30,33-34,46,48H,5,9,11-15,18-21,24-26,45H2,1-2H3/b7-6+
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940n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217744
PNG
(CHEMBL394394 | N-(2-fluorobenzyl)-4-(2-(4-hydroxyb...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(17.94,-27.12,;16.6,-27.88,;16.58,-29.43,;15.25,-30.18,;13.92,-29.4,;12.58,-30.16,;12.58,-31.7,;13.92,-32.49,;13.92,-34.03,;12.57,-34.81,;11.22,-34.04,;11.23,-32.48,;12.57,-36.36,;11.24,-37.13,;9.9,-36.36,;9.91,-34.82,;8.58,-34.05,;7.24,-34.82,;7.25,-36.37,;8.58,-37.13,;8.58,-38.67,;13.91,-37.14,;13.91,-38.7,;15.25,-36.36,;16.59,-37.13,;17.92,-36.36,;19.26,-37.12,;19.84,-35.7,;19.02,-34.39,;19.75,-33.03,;21.29,-32.99,;22.01,-31.63,;21.19,-30.32,;21.91,-28.96,;19.65,-30.38,;18.93,-31.74,;21.37,-35.8,;21.75,-37.3,;23.09,-38.02,;23.14,-39.55,;21.84,-40.37,;20.48,-39.64,;20.44,-38.11,;13.92,-27.87,;15.27,-27.11,)|
Show InChI InChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217656
PNG
((Z)-N-(3-aminopropyl)-N-(2-chloro-3-phenylallyl)-2...)
Show SMILES NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H22ClN3O2/c23-17(13-16-7-2-1-3-8-16)15-26(12-6-11-24)22(28)21(27)19-14-25-20-10-5-4-9-18(19)20/h1-5,7-10,13-14,25H,6,11-12,15,24H2/b17-13-
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217748
PNG
(CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)|
Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
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1.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217787
PNG
(CHEMBL236649 | N-(8-aminooctyl)-N-cinnamyl-3-(1H-i...)
Show SMILES NCCCCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H37N3O/c29-20-10-3-1-2-4-11-21-31(22-12-15-24-13-6-5-7-14-24)28(32)19-18-25-23-30-27-17-9-8-16-26(25)27/h5-9,12-17,23,30H,1-4,10-11,18-22,29H2/b15-12+
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217638
PNG
(CHEMBL391944 | N-{4-[(4-aminocyclohexyl)methyl]cyc...)
Show SMILES Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)|
Show InChI InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217659
PNG
(CHEMBL237504 | N-{4-[(4-aminocyclohexyl)methyl]cyc...)
Show SMILES Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(11.51,-19.5,;12.85,-20.25,;14.18,-19.46,;15.53,-20.21,;15.54,-21.75,;16.89,-22.5,;18.21,-21.71,;18.18,-20.16,;19.52,-19.37,;19.5,-17.81,;18.15,-17.05,;18.13,-15.51,;19.45,-14.73,;20.79,-15.49,;22.12,-14.71,;22.11,-13.17,;23.43,-12.39,;20.77,-12.42,;19.44,-13.2,;16.81,-17.84,;16.82,-19.41,;19.56,-22.47,;19.59,-24.03,;20.89,-21.68,;22.23,-22.41,;23.56,-21.64,;24.92,-22.37,;26.32,-21.73,;27.36,-22.86,;26.6,-24.2,;27.09,-25.65,;26.09,-26.8,;24.58,-26.5,;24.09,-25.05,;25.09,-23.9,;14.22,-22.54,;12.88,-21.79,)|
Show InChI InChI=1S/C33H45N3O/c1-24-9-11-27(12-10-24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)8-4-5-28-22-35-32-7-3-2-6-31(28)32/h2-3,6-7,9-12,22,25-26,29-30,35H,4-5,8,13-21,23,34H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217735
PNG
(CHEMBL236002 | N-(2-bromo-4,5-dimethoxycinnamyl)-4...)
Show SMILES COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)|
Show InChI InChI=1S/C43H54BrN3O4/c1-50-41-27-32(38(44)28-42(41)51-2)7-6-24-47(34-20-14-30(15-21-34)25-29-12-18-33(45)19-13-29)43(49)11-5-9-37-36-8-3-4-10-39(36)46-40(37)26-31-16-22-35(48)23-17-31/h3-4,6-8,10,16-17,22-23,27-30,33-34,46,48H,5,9,11-15,18-21,24-26,45H2,1-2H3/b7-6+
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217647
PNG
(CHEMBL238154 | N-(4-((4-amino-3-methylcyclohexyl)m...)
Show SMILES CC1CC(CC2CCC(C(C)C2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,36.41,1.0|
Show InChI InChI=1S/C34H47N3O/c1-24-19-27(15-17-31(24)35)21-28-16-18-33(25(2)20-28)37(23-26-9-4-3-5-10-26)34(38)14-8-11-29-22-36-32-13-7-6-12-30(29)32/h3-7,9-10,12-13,22,24-25,27-28,31,33,36H,8,11,14-21,23,35H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217711
PNG
(CHEMBL237291 | N-{4-[(4-aminocyclohexyl)methyl]cyc...)
Show SMILES Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)c1 |(-10.54,-4.79,;-9.23,-4,;-9.25,-2.45,;-7.93,-1.66,;-6.58,-2.42,;-6.56,-3.96,;-5.22,-4.71,;-3.9,-3.92,;-3.92,-2.36,;-2.58,-1.57,;-2.6,-.02,;-3.96,.74,;-3.97,2.28,;-2.65,3.07,;-1.31,2.3,;.02,3.08,;0,4.62,;1.33,5.41,;-1.34,5.38,;-2.67,4.6,;-5.29,-.05,;-5.29,-1.61,;-2.54,-4.68,;-2.52,-6.23,;-1.21,-3.88,;.12,-4.61,;1.46,-3.84,;2.81,-4.57,;4.21,-3.93,;5.25,-5.06,;4.5,-6.41,;4.99,-7.85,;3.99,-9.01,;2.47,-8.71,;1.98,-7.26,;2.99,-6.1,;-7.88,-4.74,)|
Show InChI InChI=1S/C33H45N3O/c1-24-6-4-7-27(20-24)23-36(30-18-14-26(15-19-30)21-25-12-16-29(34)17-13-25)33(37)11-5-8-28-22-35-32-10-3-2-9-31(28)32/h2-4,6-7,9-10,20,22,25-26,29-30,35H,5,8,11-19,21,23,34H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217705
PNG
(CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybe...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)|
Show InChI InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2
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1.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217650
PNG
(CHEMBL237919 | N-(4-((4-aminocyclohexyl)methyl)cyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(34.29,-13.78,;32.97,-14.56,;32.98,-16.09,;31.66,-16.87,;30.32,-16.11,;29,-16.89,;29.02,-18.43,;30.37,-19.19,;30.39,-20.73,;29.05,-21.52,;27.7,-20.77,;27.69,-19.21,;29.08,-23.07,;27.64,-23.9,;26.22,-23.07,;26.22,-21.41,;24.79,-20.58,;23.36,-21.4,;23.36,-23.07,;24.79,-23.89,;30.43,-23.83,;30.46,-25.38,;31.75,-23.03,;33.09,-23.77,;34.42,-23,;35.74,-23.76,;37.15,-23.09,;38.2,-24.21,;37.45,-25.55,;37.94,-26.99,;36.94,-28.15,;35.43,-27.85,;34.94,-26.4,;35.95,-25.25,;30.31,-14.58,;31.63,-13.81,)|
Show InChI InChI=1S/C32H43N3O/c33-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)35(23-26-7-2-1-3-8-26)32(36)12-6-9-27-22-34-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,34H,6,9,12-21,23,33H2
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1.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217684
PNG
((Z)-N-((3-(aminomethyl)cyclohexyl)methyl)-N-(2-chl...)
Show SMILES NCC1CCCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 |w:6.6,2.1|
Show InChI InChI=1S/C29H36ClN3O/c30-26(17-22-8-2-1-3-9-22)21-33(20-24-11-6-10-23(16-24)18-31)29(34)15-7-12-25-19-32-28-14-5-4-13-27(25)28/h1-5,8-9,13-14,17,19,23-24,32H,6-7,10-12,15-16,18,20-21,31H2/b26-17-
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217757
PNG
(CHEMBL393350 | N-benzyl-N-[4-(4-guanidino-cyclohex...)
Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)|
Show InChI InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217644
PNG
(CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)|
Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217792
PNG
(CHEMBL236842 | N-(5-aminopentyl)-2-(1H-indol-3-yl)...)
Show SMILES NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H29N3O/c27-14-6-1-7-15-29(19-20-12-13-21-8-2-3-9-22(21)16-20)26(30)17-23-18-28-25-11-5-4-10-24(23)25/h2-5,8-13,16,18,28H,1,6-7,14-15,17,19,27H2
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217686
PNG
(CHEMBL399810 | N-(4-cyanobenzyl)-N-(4-((4-aminocyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)|
Show InChI InChI=1S/C33H42N4O/c34-21-26-8-10-27(11-9-26)23-37(30-18-14-25(15-19-30)20-24-12-16-29(35)17-13-24)33(38)7-3-4-28-22-36-32-6-2-1-5-31(28)32/h1-2,5-6,8-11,22,24-25,29-30,36H,3-4,7,12-20,23,35H2
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217744
PNG
(CHEMBL394394 | N-(2-fluorobenzyl)-4-(2-(4-hydroxyb...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(17.94,-27.12,;16.6,-27.88,;16.58,-29.43,;15.25,-30.18,;13.92,-29.4,;12.58,-30.16,;12.58,-31.7,;13.92,-32.49,;13.92,-34.03,;12.57,-34.81,;11.22,-34.04,;11.23,-32.48,;12.57,-36.36,;11.24,-37.13,;9.9,-36.36,;9.91,-34.82,;8.58,-34.05,;7.24,-34.82,;7.25,-36.37,;8.58,-37.13,;8.58,-38.67,;13.91,-37.14,;13.91,-38.7,;15.25,-36.36,;16.59,-37.13,;17.92,-36.36,;19.26,-37.12,;19.84,-35.7,;19.02,-34.39,;19.75,-33.03,;21.29,-32.99,;22.01,-31.63,;21.19,-30.32,;21.91,-28.96,;19.65,-30.38,;18.93,-31.74,;21.37,-35.8,;21.75,-37.3,;23.09,-38.02,;23.14,-39.55,;21.84,-40.37,;20.48,-39.64,;20.44,-38.11,;13.92,-27.87,;15.27,-27.11,)|
Show InChI InChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217728
PNG
(CHEMBL236443 | N-(3-(aminomethyl)benzyl)-4-(1H-ind...)
Show SMILES NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H31N3O/c32-19-23-7-5-8-24(17-23)21-34(22-25-15-16-26-9-1-2-10-27(26)18-25)31(35)14-6-11-28-20-33-30-13-4-3-12-29(28)30/h1-5,7-10,12-13,15-18,20,33H,6,11,14,19,21-22,32H2
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217644
PNG
(CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)|
Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217715
PNG
(CHEMBL237299 | N-(2-aminoethyl)-2-(naphthalen-2-yl...)
Show SMILES NCCN(C1CCc2ccccc2C1)C(=O)Cc1ccc2ccccc2c1 |w:4.3|
Show InChI InChI=1S/C24H26N2O/c25-13-14-26(23-12-11-20-6-2-4-8-22(20)17-23)24(27)16-18-9-10-19-5-1-3-7-21(19)15-18/h1-10,15,23H,11-14,16-17,25H2
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217740
PNG
(CHEMBL399624 | N-(3-aminopropyl)-N-cinnamyl-2-(1H-...)
Show SMILES NCCCN(C\C=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H23N3O2/c23-13-7-15-25(14-6-10-17-8-2-1-3-9-17)22(27)21(26)19-16-24-20-12-5-4-11-18(19)20/h1-6,8-12,16,24H,7,13-15,23H2/b10-6+
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217686
PNG
(CHEMBL399810 | N-(4-cyanobenzyl)-N-(4-((4-aminocyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)|
Show InChI InChI=1S/C33H42N4O/c34-21-26-8-10-27(11-9-26)23-37(30-18-14-25(15-19-30)20-24-12-16-29(35)17-13-24)33(38)7-3-4-28-22-36-32-6-2-1-5-31(28)32/h1-2,5-6,8-11,22,24-25,29-30,36H,3-4,7,12-20,23,35H2
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217738
PNG
(CHEMBL237698 | N-(2,6-dichlorobenzyl)-4-(2-(4-hydr...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(16.09,-32.96,;14.76,-33.74,;14.77,-35.28,;13.45,-36.06,;12.1,-35.29,;10.78,-36.08,;10.8,-37.62,;12.15,-38.38,;12.17,-39.93,;10.83,-40.72,;9.47,-39.97,;9.46,-38.41,;10.86,-42.28,;9.5,-43.24,;9.52,-46,;10.86,-46.76,;12.19,-45.96,;10.9,-48.29,;9.58,-49.08,;8.23,-48.33,;8.2,-46.79,;6.86,-46.04,;12.21,-43.04,;12.24,-44.59,;13.54,-42.24,;14.88,-42.98,;16.22,-42.21,;17.54,-42.97,;18.95,-42.3,;19.71,-40.96,;21.25,-40.94,;22.03,-42.27,;23.57,-42.26,;24.33,-40.92,;25.87,-40.91,;23.54,-39.59,;22,-39.61,;20,-43.42,;19.25,-44.77,;19.75,-46.21,;18.74,-47.37,;17.23,-47.07,;16.74,-45.62,;17.75,-44.47,;12.09,-33.76,;13.42,-32.98,)|
Show InChI InChI=1S/C39H47Cl2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217722
PNG
((2R,E)-2-amino-N-(4-ethyl-4-(methylamino)octyl)-3-...)
Show SMILES COc1ccccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(6.92,-42.53,;8.24,-41.74,;8.21,-40.2,;6.86,-39.46,;6.83,-37.91,;8.16,-37.12,;9.5,-37.87,;9.52,-39.41,;10.87,-40.16,;12.19,-39.36,;13.53,-40.11,;14.85,-39.32,;14.83,-37.77,;16.17,-36.98,;16.15,-35.42,;14.8,-34.66,;14.78,-33.12,;16.1,-32.34,;17.44,-33.1,;18.77,-32.32,;18.75,-30.78,;20.08,-30,;17.41,-30.03,;16.09,-30.81,;13.46,-35.45,;13.47,-37.02,;16.21,-40.08,;16.23,-41.64,;17.54,-39.28,;18.88,-40.02,;20.21,-39.25,;21.56,-39.98,;22.96,-39.33,;24.01,-40.47,;23.25,-41.81,;23.74,-43.26,;22.74,-44.41,;21.22,-44.11,;20.73,-42.66,;21.74,-41.51,)|
Show InChI InChI=1S/C35H47N3O2/c1-40-34-13-5-2-8-28(34)10-7-23-38(31-21-17-27(18-22-31)24-26-15-19-30(36)20-16-26)35(39)14-6-9-29-25-37-33-12-4-3-11-32(29)33/h2-5,7-8,10-13,25-27,30-31,37H,6,9,14-24,36H2,1H3/b10-7+
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217788
PNG
((Z)-N-((4-(aminomethyl)cyclohexyl)methyl)-N-(2-chl...)
Show SMILES NCC1CCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(12.03,-2.53,;12.05,-4.06,;10.73,-4.84,;10.75,-6.37,;9.43,-7.16,;8.08,-6.41,;6.75,-7.19,;6.77,-8.73,;5.41,-9.62,;3.96,-8.88,;3.95,-7.24,;2.6,-9.77,;1.15,-9.03,;1.07,-7.41,;-.38,-6.67,;-1.74,-7.56,;-1.65,-9.19,;-.2,-9.92,;8.07,-9.53,;8.04,-11.05,;9.42,-8.79,;10.74,-9.59,;12.09,-8.85,;13.07,-9.11,;13.73,-10.51,;15.25,-10.32,;15.54,-8.8,;16.85,-8.01,;16.82,-6.48,;15.47,-5.74,;14.16,-6.54,;14.2,-8.06,;8.06,-4.87,;9.39,-4.08,)|
Show InChI InChI=1S/C29H36ClN3O/c30-26(17-22-7-2-1-3-8-22)21-33(20-24-15-13-23(18-31)14-16-24)29(34)12-6-9-25-19-32-28-11-5-4-10-27(25)28/h1-5,7-8,10-11,17,19,23-24,32H,6,9,12-16,18,20-21,31H2/b26-17-
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217686
PNG
(CHEMBL399810 | N-(4-cyanobenzyl)-N-(4-((4-aminocyc...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)|
Show InChI InChI=1S/C33H42N4O/c34-21-26-8-10-27(11-9-26)23-37(30-18-14-25(15-19-30)20-24-12-16-29(35)17-13-24)33(38)7-3-4-28-22-36-32-6-2-1-5-31(28)32/h1-2,5-6,8-11,22,24-25,29-30,36H,3-4,7,12-20,23,35H2
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217760
PNG
(CHEMBL393125 | N-(4-aminobutyl)-N-(naphthalen-2-yl...)
Show SMILES NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H25N3O/c25-13-5-6-14-27(17-18-11-12-19-7-1-2-8-20(19)15-18)24(28)22-16-26-23-10-4-3-9-21(22)23/h1-4,7-12,15-16,26H,5-6,13-14,17,25H2
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50217658
PNG
((R)-2-amino-N-(2-amino-ethyl)-3-(4-chloro-phenyl)-...)
Show SMILES NCCN(C1CCC2(CCCCC2)CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H34ClN3O/c23-18-6-4-17(5-7-18)16-20(25)21(27)26(15-14-24)19-8-12-22(13-9-19)10-2-1-3-11-22/h4-7,19-20H,1-3,8-16,24-25H2/t20-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217637
PNG
((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
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1.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217789
PNG
((E)-N-(3-aminopropyl)-2-(1H-indol-3-yl)-N-(2-methy...)
Show SMILES C\C(CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-17(14-18-8-3-2-4-9-18)16-26(13-7-12-24)23(28)22(27)20-15-25-21-11-6-5-10-19(20)21/h2-6,8-11,14-15,25H,7,12-13,16,24H2,1H3/b17-14+
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1.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217653
PNG
(CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-ami...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)|
Show InChI InChI=1S/C32H41F2N3O/c33-29-7-4-8-30(34)28(29)21-37(26-17-13-23(14-18-26)19-22-11-15-25(35)16-12-22)32(38)10-3-5-24-20-36-31-9-2-1-6-27(24)31/h1-2,4,6-9,20,22-23,25-26,36H,3,5,10-19,21,35H2
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1.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217702
PNG
(1-(3-aminocyclohexyl)-3-((1r,4r)-4-(N-benzyl-4-(1H...)
Show SMILES NC1CCCC(C1)NC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:11.11,wD:14.18,(4.98,-7.56,;4.96,-9.1,;6.29,-9.88,;6.27,-11.42,;4.93,-12.17,;3.61,-11.39,;3.62,-9.85,;2.27,-12.15,;.94,-11.37,;.95,-9.83,;-.4,-12.13,;-.41,-13.67,;.92,-14.46,;.91,-15.99,;-.42,-16.76,;-1.76,-15.98,;-1.75,-14.44,;-.43,-18.3,;-1.76,-19.06,;-3.08,-18.28,;-3.06,-16.75,;-4.38,-15.98,;-5.72,-16.74,;-5.72,-18.28,;-4.4,-19.04,;.9,-19.07,;.9,-20.61,;2.24,-18.3,;3.57,-19.08,;4.91,-18.31,;6.24,-19.09,;7.5,-18.18,;8.75,-19.1,;8.25,-20.57,;9.02,-21.9,;8.23,-23.23,;6.69,-23.22,;5.94,-21.88,;6.71,-20.56,)|
Show InChI InChI=1S/C32H43N5O2/c33-25-11-7-12-27(20-25)36-32(39)35-26-16-18-28(19-17-26)37(22-23-8-2-1-3-9-23)31(38)15-6-10-24-21-34-30-14-5-4-13-29(24)30/h1-5,8-9,13-14,21,25-28,34H,6-7,10-12,15-20,22,33H2,(H2,35,36,39)/t25?,26-,27?,28-
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1.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217655
PNG
(CHEMBL238149 | N-(3-guanidino-propyl)-4-(1H-indol-...)
Show SMILES NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)|
Show InChI InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217634
PNG
((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...)
Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)COc2ccc3ccccc3c2)CC1 |(15.37,-1.47,;14.05,-2.25,;14.06,-3.78,;12.74,-4.56,;11.4,-3.8,;10.08,-4.58,;10.1,-6.12,;11.45,-6.88,;11.47,-8.42,;10.13,-9.21,;8.78,-8.46,;8.77,-6.91,;10.16,-10.76,;8.83,-11.56,;7.47,-10.8,;7.45,-9.25,;6.14,-11.6,;4.79,-10.84,;4.77,-9.29,;3.42,-8.54,;2.09,-9.33,;2.11,-10.89,;3.47,-11.64,;11.51,-11.52,;11.54,-13.07,;12.84,-10.72,;14.17,-11.46,;15.5,-10.69,;16.82,-11.46,;18.16,-10.7,;18.15,-9.16,;19.48,-8.39,;19.48,-6.85,;18.14,-6.08,;16.81,-6.86,;16.82,-8.39,;15.49,-9.16,;11.39,-2.27,;12.71,-1.5,)|
Show InChI InChI=1S/C34H41ClN2O2/c35-30(21-25-6-2-1-3-7-25)23-37(32-17-12-27(13-18-32)20-26-10-15-31(36)16-11-26)34(38)24-39-33-19-14-28-8-4-5-9-29(28)22-33/h1-9,14,19,21-22,26-27,31-32H,10-13,15-18,20,23-24,36H2/b30-21-
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217631
PNG
(CHEMBL392521 | N-(3-(methylamino)benzyl)-N-benzyl-...)
Show SMILES NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H29N3O/c28-17-22-10-6-11-23(16-22)20-30(19-21-8-2-1-3-9-21)27(31)15-7-12-24-18-29-26-14-5-4-13-25(24)26/h1-6,8-11,13-14,16,18,29H,7,12,15,17,19-20,28H2
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217748
PNG
(CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)|
Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217731
PNG
(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(7.75,-.95,;7.77,-2.49,;9.12,-3.24,;9.14,-4.78,;10.49,-5.53,;10.51,-7.07,;11.8,-4.74,;13.15,-5.49,;14.47,-4.69,;14.45,-3.14,;15.79,-2.35,;15.77,-.8,;14.41,-.03,;14.4,1.51,;15.72,2.29,;17.06,1.52,;18.39,2.3,;18.37,3.85,;19.7,4.62,;17.03,4.6,;15.7,3.82,;13.08,-.83,;13.09,-2.39,;15.83,-5.45,;15.85,-7.01,;17.16,-4.66,;18.49,-5.39,;19.83,-4.62,;21.15,-5.38,;22.57,-4.71,;23.33,-3.37,;24.87,-3.36,;25.64,-4.69,;27.18,-4.68,;27.94,-3.34,;29.48,-3.32,;27.15,-2,;25.62,-2.02,;23.62,-5.84,;22.87,-7.18,;23.36,-8.63,;22.36,-9.79,;20.84,-9.49,;20.35,-8.04,;21.36,-6.88,;11.78,-3.2,;10.44,-2.45,;10.42,-.91,;11.74,-.12,)|
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217670
PNG
(CHEMBL235176 | N-(3,4-dimethoxybenzyl)-4-(2-(4-hyd...)
Show SMILES COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(-10.93,-16.01,;-10.93,-17.55,;-9.6,-18.32,;-9.59,-19.87,;-8.26,-20.64,;-6.94,-19.87,;-5.6,-20.64,;-4.27,-19.87,;-4.27,-18.31,;-2.92,-17.54,;-2.92,-15.99,;-4.26,-15.2,;-4.25,-13.66,;-2.92,-12.9,;-1.59,-13.69,;-.25,-12.93,;-.24,-11.39,;1.1,-10.63,;-1.57,-10.61,;-2.92,-11.37,;-5.61,-15.98,;-5.62,-17.54,;-2.93,-20.64,;-2.93,-22.2,;-1.58,-19.87,;-.25,-20.63,;1.08,-19.86,;2.42,-20.63,;3,-19.2,;2.18,-17.9,;2.91,-16.54,;4.45,-16.49,;5.17,-15.13,;4.35,-13.82,;5.08,-12.46,;2.81,-13.88,;2.09,-15.24,;4.53,-19.31,;4.91,-20.81,;6.25,-21.53,;6.31,-23.06,;5,-23.87,;3.64,-23.14,;3.6,-21.61,;-6.93,-18.32,;-8.26,-17.55,;-8.26,-16.01,;-9.59,-15.24,)|
Show InChI InChI=1S/C41H53N3O4/c1-47-39-23-16-31(26-40(39)48-2)27-44(33-19-12-29(13-20-33)24-28-10-17-32(42)18-11-28)41(46)9-5-7-36-35-6-3-4-8-37(35)43-38(36)25-30-14-21-34(45)22-15-30/h3-4,6,8,14-16,21-23,26,28-29,32-33,43,45H,5,7,9-13,17-20,24-25,27,42H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217779
PNG
(CHEMBL394667 | N-{4-[(4-aminocyclohexyl)methyl]cyc...)
Show SMILES Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.65,-19.83,;28.99,-20.58,;30.32,-19.79,;31.66,-20.54,;31.68,-22.09,;33.03,-22.84,;34.35,-22.05,;34.32,-20.49,;35.66,-19.7,;35.64,-18.15,;34.29,-17.39,;34.27,-15.85,;35.59,-15.06,;36.93,-15.83,;38.26,-15.05,;38.25,-13.51,;39.57,-12.72,;36.9,-12.75,;35.58,-13.53,;32.95,-18.18,;32.96,-19.74,;35.7,-22.81,;35.73,-24.36,;37.03,-22.01,;38.37,-22.74,;39.7,-21.97,;41.05,-22.7,;42.45,-22.06,;43.16,-20.71,;44.71,-20.71,;45.46,-22.05,;47.01,-22.05,;47.78,-20.72,;49.32,-20.72,;47.01,-19.38,;45.47,-19.38,;43.5,-23.19,;42.74,-24.54,;43.23,-25.98,;42.23,-27.14,;40.71,-26.84,;40.23,-25.39,;41.23,-24.23,;30.36,-22.87,;29.02,-22.13,)|
Show InChI InChI=1S/C40H51N3O2/c1-28-9-11-32(12-10-28)27-43(34-21-15-30(16-22-34)25-29-13-19-33(41)20-14-29)40(45)8-4-6-37-36-5-2-3-7-38(36)42-39(37)26-31-17-23-35(44)24-18-31/h2-3,5,7,9-12,17-18,23-24,29-30,33-34,42,44H,4,6,8,13-16,19-22,25-27,41H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217644
PNG
(CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)|
Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3
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1.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217776
PNG
(CHEMBL397324 | N-(2-bromo-4,5-dimethoxycinnamyl)-N...)
Show SMILES COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(-9.73,-19.07,;-9.7,-20.61,;-8.36,-21.36,;-8.33,-22.91,;-6.99,-23.65,;-6.96,-25.19,;-5.68,-22.86,;-4.33,-23.61,;-3.01,-22.83,;-1.66,-23.58,;-.34,-22.79,;-.37,-21.23,;.97,-20.44,;.95,-18.89,;-.4,-18.13,;-.42,-16.59,;.9,-15.8,;2.24,-16.57,;3.57,-15.79,;3.56,-14.25,;4.88,-13.47,;2.22,-13.49,;.89,-14.27,;-1.74,-18.92,;-1.73,-20.48,;1.01,-23.55,;1.04,-25.1,;2.34,-22.75,;3.68,-23.48,;5.01,-22.71,;6.34,-23.47,;7.75,-22.8,;8.8,-23.93,;8.05,-25.27,;8.54,-26.72,;7.54,-27.88,;6.03,-27.58,;5.54,-26.13,;6.55,-24.97,;-5.69,-21.32,;-7.04,-20.57,;-7.06,-19.03,;-5.73,-18.24,)|
Show InChI InChI=1S/C36H48BrN3O3/c1-42-34-22-27(32(37)23-35(34)43-2)8-6-20-40(30-18-14-26(15-19-30)21-25-12-16-29(38)17-13-25)36(41)11-5-7-28-24-39-33-10-4-3-9-31(28)33/h3-4,6,8-10,22-26,29-30,39H,5,7,11-21,38H2,1-2H3/b8-6+
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2.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217733
PNG
(4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(5-aminope...)
Show SMILES NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
Show InChI InChI=1S/C31H37N3O2/c32-20-7-2-8-21-34(23-25-10-3-1-4-11-25)31(36)15-9-13-28-27-12-5-6-14-29(27)33-30(28)22-24-16-18-26(35)19-17-24/h1,3-6,10-12,14,16-19,33,35H,2,7-9,13,15,20-23,32H2
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2.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217717
PNG
(CHEMBL393994 | methyl 4-((N-(4-((4-aminocyclohexyl...)
Show SMILES COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(25.03,-34.28,;26.37,-35.05,;27.7,-34.28,;27.7,-32.74,;29.04,-35.05,;30.37,-34.28,;31.7,-35.05,;31.7,-36.59,;33.03,-37.36,;34.36,-36.59,;34.36,-35.03,;35.71,-34.26,;35.72,-32.71,;34.37,-31.93,;34.38,-30.39,;35.71,-29.62,;37.04,-30.41,;38.38,-29.65,;38.39,-28.11,;39.73,-27.35,;37.06,-27.33,;35.72,-28.09,;33.02,-32.7,;33.01,-34.26,;35.71,-37.37,;35.71,-38.92,;37.05,-36.59,;38.38,-37.36,;39.72,-36.58,;41.05,-37.35,;41.63,-35.93,;43.17,-36.03,;43.54,-37.53,;44.89,-38.25,;44.94,-39.78,;43.63,-40.6,;42.28,-39.87,;42.23,-38.33,;30.37,-37.36,;29.04,-36.59,)|
Show InChI InChI=1S/C34H45N3O3/c1-40-34(39)27-15-9-26(10-16-27)23-37(30-19-13-25(14-20-30)21-24-11-17-29(35)18-12-24)33(38)8-4-5-28-22-36-32-7-3-2-6-31(28)32/h2-3,6-7,9-10,15-16,22,24-25,29-30,36H,4-5,8,11-14,17-21,23,35H2,1H3
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2.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50217785
PNG
(4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(6-aminohe...)
Show SMILES NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
Show InChI InChI=1S/C32H39N3O2/c33-21-8-1-2-9-22-35(24-26-11-4-3-5-12-26)32(37)16-10-14-29-28-13-6-7-15-30(28)34-31(29)23-25-17-19-27(36)20-18-25/h3-7,11-13,15,17-20,34,36H,1-2,8-10,14,16,21-24,33H2
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2.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%