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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 453.5
BDBM50111167
Wt: 325.3
BDBM50111181
Wt: 481.5
BDBM50126396
Wt: 557.6
BDBM50126393
Wt: 467.5
BDBM50126394
Wt: 589.1
BDBM50136515
Wt: 589.1
BDBM50136518
Wt: 575.1
BDBM50136521
Wt: 575.0
BDBM50136528
Wt: 501.0
BDBM50136355
Wt: 529.1
BDBM50136357
Wt: 515.0
BDBM50136365
Wt: 553.1
BDBM50138296
Wt: 539.1
BDBM50138300
Wt: 571.1
BDBM50138302
Displayed 1 to 15 (of 98 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 60 hits in this display   
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))
BDBM50138296
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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690n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 1 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor (M4 and M5)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50111181
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
Show InChI InChI=1S/C15H24N4O4/c1-22-12-6-5-10(8-13(12)23-2)9-19-11(14(20)21)4-3-7-18-15(16)17/h5-6,8,11,19H,3-4,7,9H2,1-2H3,(H,20,21)(H4,16,17,18)/p+1/t11-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 1 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 4 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor (M4 and M5)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 4 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50111167
PNG
(2-Amino-5-guanidino-pentanoic acid naphthalen-1-yl...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 3 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00088-4
BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50138296
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human melanocortin 3 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50138302
PNG
(CHEMBL125079 | N-[1-(2-{4-[(S)-2-(4-Chloro-benzyl)...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCSC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3S/c1-4-35(23(3)36)22(2)27-7-5-6-8-28(27)32-13-15-33(16-14-32)30(38)25(19-24-9-11-26(31)12-10-24)20-29(37)34-17-18-39-21-34/h5-12,22,25H,4,13-21H2,1-3H3/t22?,25-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors


Bioorg Med Chem Lett 13: 4341-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.036
BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136365
PNG
(CHEMBL337571 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C27H39ClN6O2/c1-29-14-11-25(35)32-24(17-21-7-9-23(28)10-8-21)26(36)33-15-12-27(13-16-33,18-34-20-30-19-31-34)22-5-3-2-4-6-22/h7-10,19-20,22,24,29H,2-6,11-18H2,1H3,(H,32,35)/t24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors


Bioorg Med Chem Lett 13: 4341-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.036
BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50136355
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C26H37ClN6O2/c27-22-8-6-20(7-9-22)16-23(31-24(34)10-13-28)25(35)32-14-11-26(12-15-32,17-33-19-29-18-30-33)21-4-2-1-3-5-21/h6-9,18-19,21,23H,1-5,10-17,28H2,(H,31,34)/t23-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...


Bioorg Med Chem Lett 13: 4341-4 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.036
BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50138300
PNG
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay


Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136528
PNG
(3-[6-(4-Chloro-phenylsulfanyl)-2-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(=O)N[C@@H]2CCc3ccccc3NC2=O)c1=O
Show InChI InChI=1S/C30H27ClN4O4S/c1-39-23-12-10-22(11-13-23)35-30(38)20(18-28(34-35)40-24-14-8-21(31)9-15-24)7-17-27(36)32-26-16-6-19-4-2-3-5-25(19)33-29(26)37/h2-5,8-15,18,26H,6-7,16-17H2,1H3,(H,32,36)(H,33,37)/t26-/m1/s1
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n/an/a 144n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138296
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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n/an/a>600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136515
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(S...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28+,29-/m0/s1
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n/an/a 975n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136521
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCCNC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C31H31ClN4O3S/c1-39-25-13-11-24(12-14-25)36-31(38)22(18-29(35-36)40-26-15-9-23(32)10-16-26)8-5-17-34-30(37)28-20-33-19-27(28)21-6-3-2-4-7-21/h2-4,6-7,9-16,18,27-28,33H,5,8,17,19-20H2,1H3,(H,34,37)/t27-,28+/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50138300
PNG
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1
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n/an/a>1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC4R (human melanocortin receptor) using I-AGRP as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC1R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50138296
PNG
((S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human melanocortin 3 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50138300
PNG
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human melanocortin 3 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC1R (human melanocortin receptor) using [125I]- ASIP Y radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC3R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M3 and M4)


(Homo sapiens (Human))
BDBM50126393
PNG
(CHEMBL417853 | N-Benzhydryl-N-{[carbamoylmethyl-((...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-23(24-12-5-2-6-13-24)37(21-27(32)39)29(41)22-38(28(40)20-35-18-11-19-36-31(33)34)30(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,23,30,35H,11,18-22H2,1H3,(H2,32,39)(H4,33,34,36)/t23-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hMC4R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126394
PNG
(CHEMBL440102 | N-Benzyl-N-[(benzyl-carbamoylmethyl...)
Show SMILES NC(=O)CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N
Show InChI InChI=1S/C24H33N7O3/c25-21(32)17-30(15-19-8-3-1-4-9-19)23(34)18-31(16-20-10-5-2-6-11-20)22(33)14-28-12-7-13-29-24(26)27/h1-6,8-11,28H,7,12-18H2,(H2,25,32)(H4,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126394
PNG
(CHEMBL440102 | N-Benzyl-N-[(benzyl-carbamoylmethyl...)
Show SMILES NC(=O)CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N
Show InChI InChI=1S/C24H33N7O3/c25-21(32)17-30(15-19-8-3-1-4-9-19)23(34)18-31(16-20-10-5-2-6-11-20)22(33)14-28-12-7-13-29-24(26)27/h1-6,8-11,28H,7,12-18H2,(H2,25,32)(H4,26,27,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50126396
PNG
(CHEMBL30677 | N-Benzyl-N-{[carbamoylmethyl-((R)-1-...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C25H35N7O3/c1-19(21-11-6-3-7-12-21)32(17-22(26)33)24(35)18-31(16-20-9-4-2-5-10-20)23(34)15-29-13-8-14-30-25(27)28/h2-7,9-12,19,29H,8,13-18H2,1H3,(H2,26,33)(H4,27,28,30)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50126396
PNG
(CHEMBL30677 | N-Benzyl-N-{[carbamoylmethyl-((R)-1-...)
Show SMILES C[C@@H](N(CC(N)=O)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
Show InChI InChI=1S/C25H35N7O3/c1-19(21-11-6-3-7-12-21)32(17-22(26)33)24(35)18-31(16-20-9-4-2-5-10-20)23(34)15-29-13-8-14-30-25(27)28/h2-7,9-12,19,29H,8,13-18H2,1H3,(H2,26,33)(H4,27,28,30)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human melanocortin 4 receptor (hMC4R) using [125I]- NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1409-13 (2003)


Article DOI: 10.1016/s0960-894x(03)00164-1
BindingDB Entry DOI: 10.7270/Q2R49Q4Q
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50138300
PNG
(CHEMBL127861 | N-[1-(2-{4-[(S)-4-Azetidin-1-yl-2-(...)
Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C30H39ClN4O3/c1-4-35(23(3)36)22(2)27-8-5-6-9-28(27)32-16-18-34(19-17-32)30(38)25(21-29(37)33-14-7-15-33)20-24-10-12-26(31)13-11-24/h5-6,8-13,22,25H,4,7,14-21H2,1-3H3/t22?,25-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.056
BindingDB Entry DOI: 10.7270/Q2902363
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50136521
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {3-...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCCNC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C31H31ClN4O3S/c1-39-25-13-11-24(12-14-25)36-31(38)22(18-29(35-36)40-26-15-9-23(32)10-16-26)8-5-17-34-30(37)28-20-33-19-27(28)21-6-3-2-4-7-21/h2-4,6-7,9-16,18,27-28,33H,5,8,17,19-20H2,1H3,(H,34,37)/t27-,28+/m1/s1
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n/an/an/an/a 820n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/an/an/a 405n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
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