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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 214.3
BDBM50111154
Wt: 256.3
BDBM50111155
Wt: 215.2
BDBM50111159
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Wt: 300.3
BDBM50111160
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Wt: 289.3
BDBM50111161
Wt: 286.3
BDBM50111162
Wt: 297.3
BDBM50111163
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Wt: 203.2
BDBM50111164
Wt: 226.3
BDBM50111166
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Wt: 268.3
BDBM50111168
Wt: 245.3
BDBM50111169
Wt: 257.3
BDBM50111171
Wt: 200.2
BDBM50111174
Wt: 263.3
BDBM50111186
Wt: 273.3
BDBM50217668
Displayed 1 to 15 (of 1595 total )  |  Next  |  Last  >>

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

Found 58 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))
BDBM50111186
PNG
((S)-2-Benzylamino-5-guanidino-pentanoic acid amide...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccccc1)C(N)=O
Show InChI InChI=1S/C13H21N5O/c14-12(19)11(7-4-8-17-13(15)16)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H2,14,19)(H4,15,16,17)/t11-/m0/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111186
PNG
((S)-2-Benzylamino-5-guanidino-pentanoic acid amide...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccccc1)C(N)=O
Show InChI InChI=1S/C13H21N5O/c14-12(19)11(7-4-8-17-13(15)16)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H2,14,19)(H4,15,16,17)/t11-/m0/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111186
PNG
((S)-2-Benzylamino-5-guanidino-pentanoic acid amide...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccccc1)C(N)=O
Show InChI InChI=1S/C13H21N5O/c14-12(19)11(7-4-8-17-13(15)16)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H2,14,19)(H4,15,16,17)/t11-/m0/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 3 (MC3R)


(Homo sapiens (Human))
BDBM50111186
PNG
((S)-2-Benzylamino-5-guanidino-pentanoic acid amide...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccccc1)C(N)=O
Show InChI InChI=1S/C13H21N5O/c14-12(19)11(7-4-8-17-13(15)16)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H2,14,19)(H4,15,16,17)/t11-/m0/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))
BDBM50111174
PNG
(CHEMBL8743 | N*1*-Naphthalen-2-ylmethyl-ethane-1,2...)
Show SMILES NCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C13H16N2/c14-7-8-15-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,15H,7-8,10,14H2
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8.80E+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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111169
PNG
(CHEMBL8742 | N-{3-[(1H-Indol-3-ylmethyl)-amino]-pr...)
Show SMILES NC(=N)NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H19N5/c14-13(15)17-7-3-6-16-8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,16,18H,3,6-8H2,(H4,14,15,17)
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1.20E+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 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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111160
PNG
(CHEMBL8045 | [2-(1H-Indol-3-yl)-ethyl]-naphthalen-...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
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1.40E+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 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111160
PNG
(CHEMBL8045 | [2-(1H-Indol-3-yl)-ethyl]-naphthalen-...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
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1.60E+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 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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111161
PNG
(CHEMBL269653 | [2-(1H-Indol-3-yl)-ethyl]-(1H-indol...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3/c1-3-7-18-16(5-1)14(12-21-18)9-10-20-11-15-13-22-19-8-4-2-6-17(15)19/h1-8,12-13,20-22H,9-11H2
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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 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111155
PNG
(CHEMBL269689 | N-{3-[(Naphthalen-2-ylmethyl)-amino...)
Show SMILES NC(=N)NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C15H20N4/c16-15(17)19-9-3-8-18-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H4,16,17,19)
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1.90E+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 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111162
PNG
((1H-Indol-3-ylmethyl)-naphthalen-1-ylmethyl-amine ...)
Show SMILES C(NCc1cccc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H18N2/c1-2-9-18-15(6-1)7-5-8-16(18)12-21-13-17-14-22-20-11-4-3-10-19(17)20/h1-11,14,21-22H,12-13H2
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2.60E+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 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111164
PNG
(CHEMBL8552 | N*1*-(1H-Indol-3-ylmethyl)-propane-1,...)
Show SMILES NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H17N3/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8,13H2
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2.80E+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 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 3 (MC3R)


(Homo sapiens (Human))
BDBM50111155
PNG
(CHEMBL269689 | N-{3-[(Naphthalen-2-ylmethyl)-amino...)
Show SMILES NC(=N)NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C15H20N4/c16-15(17)19-9-3-8-18-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H4,16,17,19)
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3.10E+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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111161
PNG
(CHEMBL269653 | [2-(1H-Indol-3-yl)-ethyl]-(1H-indol...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3/c1-3-7-18-16(5-1)14(12-21-18)9-10-20-11-15-13-22-19-8-4-2-6-17(15)19/h1-8,12-13,20-22H,9-11H2
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3.20E+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 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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111155
PNG
(CHEMBL269689 | N-{3-[(Naphthalen-2-ylmethyl)-amino...)
Show SMILES NC(=N)NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C15H20N4/c16-15(17)19-9-3-8-18-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H4,16,17,19)
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3.60E+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 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))
BDBM50111162
PNG
((1H-Indol-3-ylmethyl)-naphthalen-1-ylmethyl-amine ...)
Show SMILES C(NCc1cccc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H18N2/c1-2-9-18-15(6-1)7-5-8-16(18)12-21-13-17-14-22-20-11-4-3-10-19(17)20/h1-11,14,21-22H,12-13H2
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3.80E+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 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))
BDBM50111154
PNG
(CHEMBL8201 | N*1*-Naphthalen-2-ylmethyl-propane-1,...)
Show SMILES NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C14H18N2/c15-8-3-9-16-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,16H,3,8-9,11,15H2
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4.30E+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 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))
BDBM50111169
PNG
(CHEMBL8742 | N-{3-[(1H-Indol-3-ylmethyl)-amino]-pr...)
Show SMILES NC(=N)NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H19N5/c14-13(15)17-7-3-6-16-8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,16,18H,3,6-8H2,(H4,14,15,17)
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4.50E+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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111169
PNG
(CHEMBL8742 | N-{3-[(1H-Indol-3-ylmethyl)-amino]-pr...)
Show SMILES NC(=N)NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H19N5/c14-13(15)17-7-3-6-16-8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,16,18H,3,6-8H2,(H4,14,15,17)
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4.70E+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 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))
BDBM50111155
PNG
(CHEMBL269689 | N-{3-[(Naphthalen-2-ylmethyl)-amino...)
Show SMILES NC(=N)NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C15H20N4/c16-15(17)19-9-3-8-18-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H4,16,17,19)
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5.60E+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 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 3 (MC3R)


(Homo sapiens (Human))
BDBM50111154
PNG
(CHEMBL8201 | N*1*-Naphthalen-2-ylmethyl-propane-1,...)
Show SMILES NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C14H18N2/c15-8-3-9-16-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,16H,3,8-9,11,15H2
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5.70E+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 3 (MC3R)


(Homo sapiens (Human))
BDBM50111160
PNG
(CHEMBL8045 | [2-(1H-Indol-3-yl)-ethyl]-naphthalen-...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
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5.90E+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 4


(Homo sapiens (Human))
BDBM50111168
PNG
(4-Naphthalen-2-ylmethyl-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C16H20N4/c17-16(18)20-9-7-19(8-10-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2,(H3,17,18)
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6.80E+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 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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111168
PNG
(4-Naphthalen-2-ylmethyl-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C16H20N4/c17-16(18)20-9-7-19(8-10-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2,(H3,17,18)
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7.40E+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 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))
BDBM50111174
PNG
(CHEMBL8743 | N*1*-Naphthalen-2-ylmethyl-ethane-1,2...)
Show SMILES NCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C13H16N2/c14-7-8-15-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,15H,7-8,10,14H2
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8.30E+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 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))
BDBM50111161
PNG
(CHEMBL269653 | [2-(1H-Indol-3-yl)-ethyl]-(1H-indol...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3/c1-3-7-18-16(5-1)14(12-21-18)9-10-20-11-15-13-22-19-8-4-2-6-17(15)19/h1-8,12-13,20-22H,9-11H2
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8.60E+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 4


(Homo sapiens (Human))
BDBM50111154
PNG
(CHEMBL8201 | N*1*-Naphthalen-2-ylmethyl-propane-1,...)
Show SMILES NCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C14H18N2/c15-8-3-9-16-11-12-6-7-13-4-1-2-5-14(13)10-12/h1-2,4-7,10,16H,3,8-9,11,15H2
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9.40E+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 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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111163
PNG
(CHEMBL8129 | Naphthalen-2-ylmethyl-naphthalen-1-yl...)
Show SMILES C(NCc1cccc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19N/c1-2-8-20-14-17(12-13-18(20)6-1)15-23-16-21-10-5-9-19-7-3-4-11-22(19)21/h1-14,23H,15-16H2
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1.00E+5n/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))
BDBM50111164
PNG
(CHEMBL8552 | N*1*-(1H-Indol-3-ylmethyl)-propane-1,...)
Show SMILES NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H17N3/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8,13H2
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1.04E+5n/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 1


(Mus musculus)
BDBM50217668
PNG
(CHEMBL396179 | N-(4-aminobutyl)-N-isopropyl-1H-ind...)
Show SMILES CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H23N3O/c1-12(2)19(10-6-5-9-17)16(20)14-11-18-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,18H,5-6,9-10,17H2,1-2H3
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1.06E+5n/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))
BDBM50111169
PNG
(CHEMBL8742 | N-{3-[(1H-Indol-3-ylmethyl)-amino]-pr...)
Show SMILES NC(=N)NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H19N5/c14-13(15)17-7-3-6-16-8-10-9-18-12-5-2-1-4-11(10)12/h1-2,4-5,9,16,18H,3,6-8H2,(H4,14,15,17)
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1.07E+5n/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 3 (MC3R)


(Homo sapiens (Human))
BDBM50217668
PNG
(CHEMBL396179 | N-(4-aminobutyl)-N-isopropyl-1H-ind...)
Show SMILES CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H23N3O/c1-12(2)19(10-6-5-9-17)16(20)14-11-18-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,18H,5-6,9-10,17H2,1-2H3
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1.12E+5n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111160
PNG
(CHEMBL8045 | [2-(1H-Indol-3-yl)-ethyl]-naphthalen-...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
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1.18E+5n/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111166
PNG
(1-Naphthalen-2-ylmethyl-piperazine | CHEMBL8756)
Show SMILES C(N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H18N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2
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1.41E+5n/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))
BDBM50111164
PNG
(CHEMBL8552 | N*1*-(1H-Indol-3-ylmethyl)-propane-1,...)
Show SMILES NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H17N3/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8,13H2
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1.45E+5n/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111164
PNG
(CHEMBL8552 | N*1*-(1H-Indol-3-ylmethyl)-propane-1,...)
Show SMILES NCCCNCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H17N3/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,14-15H,3,6-8,13H2
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1.50E+5n/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))
BDBM50111161
PNG
(CHEMBL269653 | [2-(1H-Indol-3-yl)-ethyl]-(1H-indol...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H19N3/c1-3-7-18-16(5-1)14(12-21-18)9-10-20-11-15-13-22-19-8-4-2-6-17(15)19/h1-8,12-13,20-22H,9-11H2
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1.61E+5n/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 4


(Homo sapiens (Human))
BDBM50111162
PNG
((1H-Indol-3-ylmethyl)-naphthalen-1-ylmethyl-amine ...)
Show SMILES C(NCc1cccc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H18N2/c1-2-9-18-15(6-1)7-5-8-16(18)12-21-13-17-14-22-20-11-4-3-10-19(17)20/h1-11,14,21-22H,12-13H2
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1.61E+5n/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 3 (MC3R)


(Homo sapiens (Human))
BDBM50111162
PNG
((1H-Indol-3-ylmethyl)-naphthalen-1-ylmethyl-amine ...)
Show SMILES C(NCc1cccc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H18N2/c1-2-9-18-15(6-1)7-5-8-16(18)12-21-13-17-14-22-20-11-4-3-10-19(17)20/h1-11,14,21-22H,12-13H2
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2.14E+5n/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 4


(Homo sapiens (Human))
BDBM50217668
PNG
(CHEMBL396179 | N-(4-aminobutyl)-N-isopropyl-1H-ind...)
Show SMILES CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H23N3O/c1-12(2)19(10-6-5-9-17)16(20)14-11-18-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,18H,5-6,9-10,17H2,1-2H3
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2.22E+5n/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111159
PNG
(3-Piperazin-1-ylmethyl-1H-indole | CHEMBL276397)
Show SMILES C(N1CCNCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H17N3/c1-2-4-13-12(3-1)11(9-15-13)10-16-7-5-14-6-8-16/h1-4,9,14-15H,5-8,10H2
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2.56E+5n/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))
BDBM50217668
PNG
(CHEMBL396179 | N-(4-aminobutyl)-N-isopropyl-1H-ind...)
Show SMILES CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H23N3O/c1-12(2)19(10-6-5-9-17)16(20)14-11-18-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,18H,5-6,9-10,17H2,1-2H3
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2.79E+5n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50111168
PNG
(4-Naphthalen-2-ylmethyl-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C16H20N4/c17-16(18)20-9-7-19(8-10-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2,(H3,17,18)
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>1.00E+6n/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 4


(Homo sapiens (Human))
BDBM50111163
PNG
(CHEMBL8129 | Naphthalen-2-ylmethyl-naphthalen-1-yl...)
Show SMILES C(NCc1cccc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19N/c1-2-8-20-14-17(12-13-18(20)6-1)15-23-16-21-10-5-9-19-7-3-4-11-22(19)21/h1-14,23H,15-16H2
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>1.00E+6n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111163
PNG
(CHEMBL8129 | Naphthalen-2-ylmethyl-naphthalen-1-yl...)
Show SMILES C(NCc1cccc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19N/c1-2-8-20-14-17(12-13-18(20)6-1)15-23-16-21-10-5-9-19-7-3-4-11-22(19)21/h1-14,23H,15-16H2
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>1.00E+6n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111168
PNG
(4-Naphthalen-2-ylmethyl-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C16H20N4/c17-16(18)20-9-7-19(8-10-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2,(H3,17,18)
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>1.00E+6n/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 4


(Homo sapiens (Human))
BDBM50111166
PNG
(1-Naphthalen-2-ylmethyl-piperazine | CHEMBL8756)
Show SMILES C(N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H18N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2
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>1.00E+6n/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 5 (MC5R)


(Homo sapiens (Human))
BDBM50111171
PNG
(4-(1H-Indol-3-ylmethyl)-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C14H19N5/c15-14(16)19-7-5-18(6-8-19)10-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10H2,(H3,15,16)
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>1.00E+6n/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))
BDBM50111171
PNG
(4-(1H-Indol-3-ylmethyl)-piperazine-1-carboxamidine...)
Show SMILES NC(=N)N1CCN(Cc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C14H19N5/c15-14(16)19-7-5-18(6-8-19)10-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10H2,(H3,15,16)
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>1.00E+6n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111166
PNG
(1-Naphthalen-2-ylmethyl-piperazine | CHEMBL8756)
Show SMILES C(N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H18N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-7-16-8-10-17/h1-6,11,16H,7-10,12H2
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>1.00E+6n/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
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