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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 260.1
BDBM53623
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Wt: 257.2
BDBM79568
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Wt: 261.3
BDBM88574
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Wt: 233.6
BDBM88597
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Wt: 214.3
BDBM50111154
Wt: 256.3
BDBM50111155
Wt: 215.2
BDBM50111159
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Wt: 203.2
BDBM50111164
Wt: 226.3
BDBM50111166
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Wt: 245.3
BDBM50111169
Wt: 257.3
BDBM50111171
Wt: 200.2
BDBM50111174
Wt: 263.3
BDBM50111186
Wt: 204.3
BDBM50174064
Wt: 190.2
BDBM50174044
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Displayed 1 to 15 (of 3443 total )  |  Next  |  Last  >>

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

Found 45 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))
BDBM50174064
PNG
(1-Methyl-4-(1-phenyl-ethyl)-piperazine | CHEMBL195...)
Show SMILES CC(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C13H20N2/c1-12(13-6-4-3-5-7-13)15-10-8-14(2)9-11-15/h3-7,12H,8-11H2,1-2H3
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700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
More data for this
Ligand-Target Pair
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))
BDBM50174044
PNG
(1-Benzyl-4-methyl-piperazine | CHEMBL363603)
Show SMILES CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor


Bioorg Med Chem Lett 15: 4973-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.018
BindingDB Entry DOI: 10.7270/Q2HT2NWT
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
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))
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
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))
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 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 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 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 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 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 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 4


(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 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))
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 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))
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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>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))
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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>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))
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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>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 3 (MC3R)


(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 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))
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
Melanocortin receptor 3 (MC3R)


(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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>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 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
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
G-protein coupled receptor 35


(Homo sapiens)
BDBM53623
PNG
(5-chloranyl-2-(4-chlorophenyl)-4-methyl-1,2-thiazo...)
Show SMILES Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM53623
PNG
(5-chloranyl-2-(4-chlorophenyl)-4-methyl-1,2-thiazo...)
Show SMILES Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FT8JMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM79568
PNG
(MLS000706381 | N,N-dimethyl-4-[2-[(E)-2-nitroethen...)
Show SMILES CN(C)c1ccc(cc1)-n1cccc1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O2/c1-15(2)12-5-7-14(8-6-12)16-10-3-4-13(16)9-11-17(18)19/h3-11H,1-2H3/b11-9+
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FT8JMN
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM53623
PNG
(5-chloranyl-2-(4-chlorophenyl)-4-methyl-1,2-thiazo...)
Show SMILES Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88574
PNG
(2-(cyclohexylthio)isoindole-1,3-dione | 2-(cyclohe...)
Show SMILES O=C1N(SC2CCCCC2)C(=O)c2ccccc12
Show InChI InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
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n/an/a 6.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FT8JMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM88597
PNG
(4-chloranyl-9-methoxy-5H-pyrimido[5,4-b]indole | 4...)
Show SMILES COc1cccc2[nH]c3c(Cl)ncnc3c12
Show InChI InChI=1S/C11H8ClN3O/c1-16-7-4-2-3-6-8(7)9-10(15-6)11(12)14-5-13-9/h2-5,15H,1H3
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n/an/a>6.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FT8JMN
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM53623
PNG
(5-chloranyl-2-(4-chlorophenyl)-4-methyl-1,2-thiazo...)
Show SMILES Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2MK6BGR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM79568
PNG
(MLS000706381 | N,N-dimethyl-4-[2-[(E)-2-nitroethen...)
Show SMILES CN(C)c1ccc(cc1)-n1cccc1\C=C\[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O2/c1-15(2)12-5-7-14(8-6-12)16-10-3-4-13(16)9-11-17(18)19/h3-11H,1-2H3/b11-9+
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n/an/an/an/a 9.06E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22N50RJ
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM53623
PNG
(5-chloranyl-2-(4-chlorophenyl)-4-methyl-1,2-thiazo...)
Show SMILES Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C10H7Cl2NOS/c1-6-9(12)15-13(10(6)14)8-4-2-7(11)3-5-8/h2-5H,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 5.19E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CJ7
More data for this
Ligand-Target Pair