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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50020632   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215802
PNG
(CHEMBL233559 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H49N5O3/c1-25(2)16-22-38(23-17-26(3)4)32(40)28-12-15-30-31(24-28)39(21-9-20-37-18-7-6-8-19-37)34(36-30)35-29-13-10-27(11-14-29)33(41)42-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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0.890n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215807
PNG
(CHEMBL392092 | N,N-diisopentyl-2-(4-methoxybenzoyl...)
Show SMILES COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215841
PNG
(2-(4-benzoylphenylamino)-N,N-diisopentyl-3-(3-(pip...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(=O)c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C39H51N5O2/c1-29(2)20-26-43(27-21-30(3)4)38(46)33-16-19-35-36(28-33)44(25-11-24-42-22-9-6-10-23-42)39(41-35)40-34-17-14-32(15-18-34)37(45)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,40,41)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215844
PNG
(CHEMBL232161 | N,N-diisopentyl-2-(4-phenoxyphenyla...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O2/c1-29(2)20-26-42(27-21-30(3)4)37(44)31-14-19-35-36(28-31)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-32-15-17-34(18-16-32)45-33-12-7-5-8-13-33/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215813
PNG
(CHEMBL395226 | N,N-diisopentyl-2-(4-nitrophenylami...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)[N+]([O-])=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46N6O3/c1-24(2)15-21-36(22-16-25(3)4)31(39)26-9-14-29-30(23-26)37(20-8-19-35-17-6-5-7-18-35)32(34-29)33-27-10-12-28(13-11-27)38(40)41/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,33,34)
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215836
PNG
(CHEMBL233757 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CCC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C35H51N5O2/c1-6-33(41)28-11-14-30(15-12-28)36-35-37-31-16-13-29(34(42)39(23-17-26(2)3)24-18-27(4)5)25-32(31)40(35)22-10-21-38-19-8-7-9-20-38/h11-16,25-27H,6-10,17-24H2,1-5H3,(H,36,37)
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
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3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215801
PNG
(CHEMBL391664 | N,N-diisopentyl-2-(1-methyl-1H-indo...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H49N5O/c1-26(2)16-22-39(23-17-27(3)4)35(41)28-14-15-31-33(24-28)40(21-11-20-38-18-9-6-10-19-38)34(36-31)30-25-37(5)32-13-8-7-12-29(30)32/h7-8,12-15,24-27H,6,9-11,16-23H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215828
PNG
(CHEMBL233758 | N,N-diisopentyl-2-(4-(methylcarbamo...)
Show SMILES CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215812
PNG
(2-(4-acetamidophenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(NC(C)=O)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-10-15-31-32(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-31)36-30-13-11-29(12-14-30)35-27(5)41/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215800
PNG
(2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215823
PNG
(CHEMBL232584 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C31H46N6O/c1-24(2)13-20-36(21-14-25(3)4)30(38)26-11-12-28-29(22-26)37(19-9-18-35-16-6-5-7-17-35)31(34-28)33-27-10-8-15-32-23-27/h8,10-12,15,22-25H,5-7,9,13-14,16-21H2,1-4H3,(H,33,34)
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4.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215846
PNG
(2-(3-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc(c3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)15-21-38(22-16-26(3)4)33(41)29-13-14-31-32(24-29)39(20-10-19-37-17-7-6-8-18-37)34(36-31)35-30-12-9-11-28(23-30)27(5)40/h9,11-14,23-26H,6-8,10,15-22H2,1-5H3,(H,35,36)
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4.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215805
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pyrr...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C33H47N5O2/c1-24(2)15-21-37(22-16-25(3)4)32(40)28-11-14-30-31(23-28)38(20-8-19-36-17-6-7-18-36)33(35-30)34-29-12-9-27(10-13-29)26(5)39/h9-14,23-25H,6-8,15-22H2,1-5H3,(H,34,35)
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4.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215815
PNG
(CHEMBL429943 | N,N-diisopentyl-2-(4-methoxyphenyla...)
Show SMILES COc1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C33H49N5O2/c1-25(2)16-22-37(23-17-26(3)4)32(39)27-10-15-30-31(24-27)38(21-9-20-36-18-7-6-8-19-36)33(35-30)34-28-11-13-29(40-5)14-12-28/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,34,35)
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5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215839
PNG
(2-(biphenyl-4-ylamino)-3-(3-piperidin-1-yl-propyl)...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)-c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O/c1-29(2)20-26-42(27-21-30(3)4)37(44)33-16-19-35-36(28-33)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-34-17-14-32(15-18-34)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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5.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215831
PNG
(2-(4-acetylbenzylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H51N5O2/c1-26(2)16-22-39(23-17-27(3)4)34(42)31-14-15-32-33(24-31)40(21-9-20-38-18-7-6-8-19-38)35(37-32)36-25-29-10-12-30(13-11-29)28(5)41/h10-15,24,26-27H,6-9,16-23,25H2,1-5H3,(H,36,37)
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5.80n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215835
PNG
(2-(4-carbamoylphenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(N)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C33H48N6O2/c1-24(2)15-21-38(22-16-25(3)4)32(41)27-11-14-29-30(23-27)39(20-8-19-37-17-6-5-7-18-37)33(36-29)35-28-12-9-26(10-13-28)31(34)40/h9-14,23-25H,5-8,15-22H2,1-4H3,(H2,34,40)(H,35,36)
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6.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215804
PNG
(2-(1H-indol-3-yl)-N,N-diisopentyl-3-(3-(piperidin-...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3c[nH]c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H47N5O/c1-25(2)15-21-38(22-16-26(3)4)34(40)27-13-14-31-32(23-27)39(20-10-19-37-17-8-5-9-18-37)33(36-31)29-24-35-30-12-7-6-11-28(29)30/h6-7,11-14,23-26,35H,5,8-10,15-22H2,1-4H3
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7.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215845
PNG
(CHEMBL430165 | N,N-diisopentyl-2-(phenylamino)-3-(...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H47N5O/c1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28/h5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34)
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7.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215829
PNG
(2-(4-bromophenylamino)-N,N-diisopentyl-3-(3-(piper...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Br)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46BrN5O/c1-24(2)15-21-37(22-16-25(3)4)31(39)26-9-14-29-30(23-26)38(20-8-19-36-17-6-5-7-18-36)32(35-29)34-28-12-10-27(33)11-13-28/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,34,35)
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7.60n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215833
PNG
(2-(4-acetylphenylamino)-3-(3-(diethylamino)propyl)...)
Show SMILES CCN(CC)CCCn1c(Nc2ccc(cc2)C(C)=O)nc2ccc(cc12)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C33H49N5O2/c1-8-36(9-2)19-10-20-38-31-23-28(32(40)37(21-17-24(3)4)22-18-25(5)6)13-16-30(31)35-33(38)34-29-14-11-27(12-15-29)26(7)39/h11-16,23-25H,8-10,17-22H2,1-7H3,(H,34,35)
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7.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215852
PNG
(2-(4-fluorophenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(F)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46FN5O/c1-24(2)15-21-37(22-16-25(3)4)31(39)26-9-14-29-30(23-26)38(20-8-19-36-17-6-5-7-18-36)32(35-29)34-28-12-10-27(33)11-13-28/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,34,35)
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8.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215811
PNG
(2-(4-chlorophenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Cl)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46ClN5O/c1-24(2)15-21-37(22-16-25(3)4)31(39)26-9-14-29-30(23-26)38(20-8-19-36-17-6-5-7-18-36)32(35-29)34-28-12-10-27(33)11-13-28/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,34,35)
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8.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215821
PNG
(CHEMBL232163 | N,N-diisopentyl-2-(4-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)N3CCCCC3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C37H56N6O/c1-29(2)18-26-42(27-19-30(3)4)36(44)31-12-17-34-35(28-31)43(25-11-22-40-20-7-5-8-21-40)37(39-34)38-32-13-15-33(16-14-32)41-23-9-6-10-24-41/h12-17,28-30H,5-11,18-27H2,1-4H3,(H,38,39)
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9.80n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215809
PNG
(2-(4-acetylphenylamino)-3-(3-(dimethylamino)propyl...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN(C)C)c2c1
Show InChI InChI=1S/C31H45N5O2/c1-22(2)15-19-35(20-16-23(3)4)30(38)26-11-14-28-29(21-26)36(18-8-17-34(6)7)31(33-28)32-27-12-9-25(10-13-27)24(5)37/h9-14,21-23H,8,15-20H2,1-7H3,(H,32,33)
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12n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215832
PNG
(2-(1H-indol-4-ylamino)-N,N-diisopentyl-3-(3-(piper...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc4[nH]ccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H48N6O/c1-25(2)15-22-39(23-16-26(3)4)33(41)27-12-13-31-32(24-27)40(21-9-20-38-18-6-5-7-19-38)34(37-31)36-30-11-8-10-29-28(30)14-17-35-29/h8,10-14,17,24-26,35H,5-7,9,15-16,18-23H2,1-4H3,(H,36,37)
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14n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215848
PNG
(2-(benzylamino)-N,N-diisopentyl-3-(3-(piperidin-1-...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C33H49N5O/c1-26(2)16-22-37(23-17-27(3)4)32(39)29-14-15-30-31(24-29)38(21-11-20-36-18-9-6-10-19-36)33(35-30)34-25-28-12-7-5-8-13-28/h5,7-8,12-15,24,26-27H,6,9-11,16-23,25H2,1-4H3,(H,34,35)
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17n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215842
PNG
(2-(4-acetylphenyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H48N4O2/c1-25(2)16-22-37(23-17-26(3)4)34(40)30-14-15-31-32(24-30)38(21-9-20-36-18-7-6-8-19-36)33(35-31)29-12-10-28(11-13-29)27(5)39/h10-15,24-26H,6-9,16-23H2,1-5H3
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20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215850
PNG
(2-(4-methoxybenzyl)-N,N-diisopentyl-3-(3-(piperidi...)
Show SMILES COc1ccc(Cc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N4O2/c1-26(2)16-22-37(23-17-27(3)4)34(39)29-12-15-31-32(25-29)38(21-9-20-36-18-7-6-8-19-36)33(35-31)24-28-10-13-30(40-5)14-11-28/h10-15,25-27H,6-9,16-24H2,1-5H3
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28n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215843
PNG
(2-(2-acetamidoethylamino)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCCNC(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C30H50N6O2/c1-23(2)12-20-35(21-13-24(3)4)29(38)26-10-11-27-28(22-26)36(19-9-18-34-16-7-6-8-17-34)30(33-27)32-15-14-31-25(5)37/h10-11,22-24H,6-9,12-21H2,1-5H3,(H,31,37)(H,32,33)
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31n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215824
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-morph...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCOCC3)c2c1
Show InChI InChI=1S/C33H47N5O3/c1-24(2)13-17-37(18-14-25(3)4)32(40)28-9-12-30-31(23-28)38(16-6-15-36-19-21-41-22-20-36)33(35-30)34-29-10-7-27(8-11-29)26(5)39/h7-12,23-25H,6,13-22H2,1-5H3,(H,34,35)
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32n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215838
PNG
(CHEMBL232585 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccsc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C30H45N5OS/c1-23(2)11-18-34(19-12-24(3)4)29(36)25-9-10-27-28(21-25)35(17-8-16-33-14-6-5-7-15-33)30(32-27)31-26-13-20-37-22-26/h9-10,13,20-24H,5-8,11-12,14-19H2,1-4H3,(H,31,32)
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33n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215847
PNG
(CHEMBL232973 | N,N-diisopentyl-2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C33H48N4O2/c1-25(2)16-22-36(23-17-26(3)4)33(38)28-12-15-30-31(24-28)37(21-9-20-35-18-7-6-8-19-35)32(34-30)27-10-13-29(39-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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37n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215819
PNG
(CHEMBL233175 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(cc1)-c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)33(39)29-14-15-30-31(24-29)38(21-9-20-36-18-7-6-8-19-36)32(35-30)27-10-12-28(13-11-27)34(40)41-5/h10-15,24-26H,6-9,16-23H2,1-5H3
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45n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215851
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(4-me...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)14-18-39(19-15-26(3)4)33(42)29-10-13-31-32(24-29)40(17-7-16-38-22-20-37(6)21-23-38)34(36-31)35-30-11-8-28(9-12-30)27(5)41/h8-13,24-26H,7,14-23H2,1-6H3,(H,35,36)
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46n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215822
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(1-methy...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C32H45N5O2/c1-22(2)13-19-36(20-14-23(3)4)31(39)26-9-12-29-30(21-26)37(28-15-17-35(6)18-16-28)32(34-29)33-27-10-7-25(8-11-27)24(5)38/h7-12,21-23,28H,13-20H2,1-6H3,(H,33,34)
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50n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215849
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(meth...)
Show SMILES CNCCCn1c(Nc2ccc(cc2)C(C)=O)nc2ccc(cc12)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C30H43N5O2/c1-21(2)14-18-34(19-15-22(3)4)29(37)25-10-13-27-28(20-25)35(17-7-16-31-6)30(33-27)32-26-11-8-24(9-12-26)23(5)36/h8-13,20-22,31H,7,14-19H2,1-6H3,(H,32,33)
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51n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215830
PNG
(2-(4-acetylphenylamino)-3-(3-aminopropyl)-N,N-diis...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN)c2c1
Show InChI InChI=1S/C29H41N5O2/c1-20(2)13-17-33(18-14-21(3)4)28(36)24-9-12-26-27(19-24)34(16-6-15-30)29(32-26)31-25-10-7-23(8-11-25)22(5)35/h7-12,19-21H,6,13-18,30H2,1-5H3,(H,31,32)
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60n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215834
PNG
(CHEMBL232775 | N,N-diisopentyl-2-(2-methoxyethylam...)
Show SMILES COCCNc1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C29H49N5O2/c1-23(2)12-19-33(20-13-24(3)4)28(35)25-10-11-26-27(22-25)34(29(31-26)30-14-21-36-5)18-9-17-32-15-7-6-8-16-32/h10-11,22-24H,6-9,12-21H2,1-5H3,(H,30,31)
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78n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215837
PNG
(2-(2-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)28-14-15-31-32(24-28)39(21-11-20-37-18-9-6-10-19-37)34(36-31)35-30-13-8-7-12-29(30)27(5)40/h7-8,12-15,24-26H,6,9-11,16-23H2,1-5H3,(H,35,36)
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110n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215806
PNG
(2-(4-acetylphenylamino)-3-(4-aminobutyl)-N,N-diiso...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCCN)c2c1
Show InChI InChI=1S/C30H43N5O2/c1-21(2)14-18-34(19-15-22(3)4)29(37)25-10-13-27-28(20-25)35(17-7-6-16-31)30(33-27)32-26-11-8-24(9-12-26)23(5)36/h8-13,20-22H,6-7,14-19,31H2,1-5H3,(H,32,33)
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130n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215826
PNG
(2-(4-acetylphenylamino)-3-(2-aminoethyl)-N,N-diiso...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCN)c2c1
Show InChI InChI=1S/C28H39N5O2/c1-19(2)12-15-32(16-13-20(3)4)27(35)23-8-11-25-26(18-23)33(17-14-29)28(31-25)30-24-9-6-22(7-10-24)21(5)34/h6-11,18-20H,12-17,29H2,1-5H3,(H,30,31)
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220n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215808
PNG
(3-(3-aminopropyl)-N,N-diisopentyl-2-(3,4,5-trimeth...)
Show SMILES COc1cc(Nc2nc3ccc(cc3n2CCCN)C(=O)N(CCC(C)C)CCC(C)C)cc(OC)c1OC
Show InChI InChI=1S/C30H45N5O4/c1-20(2)11-15-34(16-12-21(3)4)29(36)22-9-10-24-25(17-22)35(14-8-13-31)30(33-24)32-23-18-26(37-5)28(39-7)27(19-23)38-6/h9-10,17-21H,8,11-16,31H2,1-7H3,(H,32,33)
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417n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215840
PNG
(3-(3-aminopropyl)-N,N-dipentyl-2-(3,4,5-trimethoxy...)
Show SMILES CCCCCN(CCCCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCCN)c2c1
Show InChI InChI=1S/C30H45N5O4/c1-6-8-10-16-34(17-11-9-7-2)29(36)22-13-14-24-25(19-22)35(18-12-15-31)30(33-24)32-23-20-26(37-3)28(39-5)27(21-23)38-4/h13-14,19-21H,6-12,15-18,31H2,1-5H3,(H,32,33)
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630n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215825
PNG
(2-(4-acetylphenylamino)-3-(3-(dimethylamino)-2,2-d...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CC(C)(C)CN(C)C)c2c1
Show InChI InChI=1S/C33H49N5O2/c1-23(2)16-18-37(19-17-24(3)4)31(40)27-12-15-29-30(20-27)38(22-33(6,7)21-36(8)9)32(35-29)34-28-13-10-26(11-14-28)25(5)39/h10-15,20,23-24H,16-19,21-22H2,1-9H3,(H,34,35)
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720n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215827
PNG
(2-(4-acetylphenylamino)-3-(3-aminopropyl)-N,N-diis...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN)c2c1
Show InChI InChI=1S/C27H37N5O2/c1-18(2)16-31(17-19(3)4)26(34)22-9-12-24-25(15-22)32(14-6-13-28)27(30-24)29-23-10-7-21(8-11-23)20(5)33/h7-12,15,18-19H,6,13-14,16-17,28H2,1-5H3,(H,29,30)
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770n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215817
PNG
(3-(3-aminopropyl)-N,N-dibutyl-2-(3,4,5-trimethoxyp...)
Show SMILES CCCCN(CCCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCCN)c2c1
Show InChI InChI=1S/C28H41N5O4/c1-6-8-14-32(15-9-7-2)27(34)20-11-12-22-23(17-20)33(16-10-13-29)28(31-22)30-21-18-24(35-3)26(37-5)25(19-21)36-4/h11-12,17-19H,6-10,13-16,29H2,1-5H3,(H,30,31)
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1.05E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215814
PNG
(2-(4-acetylphenylamino)-3-(3-hydroxypropyl)-N,N-di...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCO)c2c1
Show InChI InChI=1S/C29H40N4O3/c1-20(2)13-16-32(17-14-21(3)4)28(36)24-9-12-26-27(19-24)33(15-6-18-34)29(31-26)30-25-10-7-23(8-11-25)22(5)35/h7-12,19-21,34H,6,13-18H2,1-5H3,(H,30,31)
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2.30E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
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