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Compile Data Set for Download or QSAR

Found 1002 hits with Last Name = 'mutule' and Initial = 'i'   
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))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151506
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1
Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1
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260n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151506
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1
Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28-,29-/m1/s1
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260n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151507
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1
Show InChI InChI=1S/C32H40ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-2,5-6,9-12,21-22,26,28-30,35H,3-4,7-8,13-20H2,(H,37,41)/t26?,28?,29-,30?/m1/s1
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390n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50151505
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1
Show InChI InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1
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530n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


(Homo sapiens (Human))
BDBM50111156
PNG
(CHEMBL269776 | N-(3-Amino-propyl)-3-[(1H-indol-3-y...)
Show SMILES NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O/c27-12-5-13-29-26(32)25(18-28-16-22-17-31-24-9-4-3-8-23(22)24)30-15-19-10-11-20-6-1-2-7-21(20)14-19/h1-4,6-11,14,17,25,28,30-31H,5,12-13,15-16,18,27H2,(H,29,32)/t25-/m0/s1
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631n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 1 receptor, expressed as negative log of the Ki value


J Med Chem 46: 2572-9 (2003)


Article DOI: 10.1021/jm020945m
BindingDB Entry DOI: 10.7270/Q2833VSX
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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631n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 1 receptor, expressed as negative log of the Ki value


J Med Chem 46: 2572-9 (2003)


Article DOI: 10.1021/jm020945m
BindingDB Entry DOI: 10.7270/Q2833VSX
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)


BindingDB Entry DOI: 10.7270/Q2D799RR
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)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111156
PNG
(CHEMBL269776 | N-(3-Amino-propyl)-3-[(1H-indol-3-y...)
Show SMILES NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O/c27-12-5-13-29-26(32)25(18-28-16-22-17-31-24-9-4-3-8-23(22)24)30-15-19-10-11-20-6-1-2-7-21(20)14-19/h1-4,6-11,14,17,25,28,30-31H,5,12-13,15-16,18,27H2,(H,29,32)/t25-/m0/s1
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700n/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)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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760n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


(Homo sapiens (Human))
BDBM50151509
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1
Show InChI InChI=1S/C31H38ClN7O2/c32-25-11-9-22(10-12-25)17-27(36-30(40)26-18-23-5-1-2-6-24(23)19-34-26)31(41)38-15-13-37(14-16-38)28-7-3-4-8-29(28)39-21-33-20-35-39/h1-2,5-6,9-12,20-21,26-29,34H,3-4,7-8,13-19H2,(H,36,40)/t26?,27-,28+,29+/m1/s1
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860n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


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



Uppsala University

Curated by ChEMBL


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


Bioorg Med Chem 15: 5787-810 (2007)


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


(Homo sapiens (Human))
BDBM50111204
PNG
((S)-2-(2-Chloro-3,4-dimethoxy-benzylamino)-5-guani...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H24ClN5O3/c1-23-11-6-5-9(12(16)13(11)24-2)8-21-10(14(17)22)4-3-7-20-15(18)19/h5-6,10,21H,3-4,7-8H2,1-2H3,(H2,17,22)(H4,18,19,20)/t10-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50111191
PNG
((S)-2-(3,4-Dimethoxy-benzylamino)-5-guanidino-pent...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)cc1OC
Show InChI InChI=1S/C15H25N5O3/c1-22-12-6-5-10(8-13(12)23-2)9-20-11(14(16)21)4-3-7-19-15(17)18/h5-6,8,11,20H,3-4,7,9H2,1-2H3,(H2,16,21)(H4,17,18,19)/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111199
PNG
(5-[(E)-[amino(azaniumyl)methylidene]amino]-2-[(1H-...)
Show SMILES [NH3+]C(=N)NCCCC(NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1
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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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111200
PNG
(5-(R)-Guanidino-2-[(1H-indol-3-ylmethyl)-amino]-pe...)
Show SMILES NC(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C15H22N6O/c16-14(22)13(6-3-7-19-15(17)18)21-9-10-8-20-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,20-21H,3,6-7,9H2,(H2,16,22)(H4,17,18,19)/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111205
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES [NH3+]C(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111198
PNG
(5-(S)-Guanidino-2-[(1H-indol-3-ylmethyl)-amino]-pe...)
Show SMILES NC(=N)NCCC[C@H](NCc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C15H22N6O/c16-14(22)13(6-3-7-19-15(17)18)21-9-10-8-20-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,20-21H,3,6-7,9H2,(H2,16,22)(H4,17,18,19)/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111205
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES [NH3+]C(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111199
PNG
(5-[(E)-[amino(azaniumyl)methylidene]amino]-2-[(1H-...)
Show SMILES [NH3+]C(=N)NCCCC(NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1
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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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111200
PNG
(5-(R)-Guanidino-2-[(1H-indol-3-ylmethyl)-amino]-pe...)
Show SMILES NC(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C15H22N6O/c16-14(22)13(6-3-7-19-15(17)18)21-9-10-8-20-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,20-21H,3,6-7,9H2,(H2,16,22)(H4,17,18,19)/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111204
PNG
((S)-2-(2-Chloro-3,4-dimethoxy-benzylamino)-5-guani...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H24ClN5O3/c1-23-11-6-5-9(12(16)13(11)24-2)8-21-10(14(17)22)4-3-7-20-15(18)19/h5-6,10,21H,3-4,7-8H2,1-2H3,(H2,17,22)(H4,18,19,20)/t10-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111182
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES [NH3+]C(=N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C17H22N4O2/c18-17(19)20-9-3-6-15(16(22)23)21-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15,21H,3,6,9,11H2,(H,22,23)(H4,18,19,20)/p+1/t15-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111205
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES [NH3+]C(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1/t13-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111191
PNG
((S)-2-(3,4-Dimethoxy-benzylamino)-5-guanidino-pent...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)cc1OC
Show InChI InChI=1S/C15H25N5O3/c1-22-12-6-5-10(8-13(12)23-2)9-20-11(14(16)21)4-3-7-19-15(17)18/h5-6,8,11,20H,3-4,7,9H2,1-2H3,(H2,16,21)(H4,17,18,19)/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111204
PNG
((S)-2-(2-Chloro-3,4-dimethoxy-benzylamino)-5-guani...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H24ClN5O3/c1-23-11-6-5-9(12(16)13(11)24-2)8-21-10(14(17)22)4-3-7-20-15(18)19/h5-6,10,21H,3-4,7-8H2,1-2H3,(H2,17,22)(H4,18,19,20)/t10-/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)


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 5 receptor


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


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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)


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 3 receptor


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


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111182
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES [NH3+]C(=N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C17H22N4O2/c18-17(19)20-9-3-6-15(16(22)23)21-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15,21H,3,6,9,11H2,(H,22,23)(H4,18,19,20)/p+1/t15-/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)


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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
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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)


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)


BindingDB Entry DOI: 10.7270/Q2833SKD
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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111187
PNG
((S)-5-Guanidino-2-[(naphthalen-2-ylmethyl)-amino]-...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C17H23N5O/c18-16(23)15(6-3-9-21-17(19)20)22-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15,22H,3,6,9,11H2,(H2,18,23)(H4,19,20,21)/t15-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111191
PNG
((S)-2-(3,4-Dimethoxy-benzylamino)-5-guanidino-pent...)
Show SMILES COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)cc1OC
Show InChI InChI=1S/C15H25N5O3/c1-22-12-6-5-10(8-13(12)23-2)9-20-11(14(16)21)4-3-7-19-15(17)18/h5-6,8,11,20H,3-4,7,9H2,1-2H3,(H2,16,21)(H4,17,18,19)/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111187
PNG
((S)-5-Guanidino-2-[(naphthalen-2-ylmethyl)-amino]-...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C17H23N5O/c18-16(23)15(6-3-9-21-17(19)20)22-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15,22H,3,6,9,11H2,(H2,18,23)(H4,19,20,21)/t15-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111199
PNG
(5-[(E)-[amino(azaniumyl)methylidene]amino]-2-[(1H-...)
Show SMILES [NH3+]C(=N)NCCCC(NCc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C15H21N5O2/c16-15(17)18-7-3-6-13(14(21)22)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-2,4-5,8,13,19-20H,3,6-7,9H2,(H,21,22)(H4,16,17,18)/p+1
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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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111187
PNG
((S)-5-Guanidino-2-[(naphthalen-2-ylmethyl)-amino]-...)
Show SMILES NC(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C17H23N5O/c18-16(23)15(6-3-9-21-17(19)20)22-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15,22H,3,6,9,11H2,(H2,18,23)(H4,19,20,21)/t15-/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)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
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