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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50181498'   
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))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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114n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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260n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I291A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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275n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268F expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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305n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human wild type MC4R expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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890n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287F expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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1.02E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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1.11E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184L expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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1.25E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I125A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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2.12E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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3.10E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from mutant MC4R I129A expressed in HEK293 cells


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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n/an/an/an/a 1.52E+3n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R I129A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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n/an/an/an/a 9.5n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the human wild type MC4R expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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n/an/an/an/a 53n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R I125A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
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n/an/an/an/a 1.02n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R F184A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R Y268A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R I291A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

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n/an/an/an/a 6.60n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R Y268F expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/an/an/a 418n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R Y287A expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/an/an/a 10n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R Y287F expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50181498
PNG
((4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpip...)
Show SMILES CN(C)[C@H]1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H40ClN5O/c1-32(2)24-16-25(21-8-10-23(29)11-9-21)26(17-24)27(35)33-14-12-28(13-15-33,18-34-20-30-19-31-34)22-6-4-3-5-7-22/h8-11,19-20,22,24-26H,3-7,12-18H2,1-2H3/t24-,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 90n/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at the mutant MC4R F184L expressed in HEK293 cells by cAMP accumulation


J Med Chem 49: 911-22 (2006)


Article DOI: 10.1021/jm050780s
BindingDB Entry DOI: 10.7270/Q2D21ZCX
More data for this
Ligand-Target Pair