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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'doersen' and Initial = 'dc'   
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))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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23n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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125n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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300n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372554
PNG
(CHEMBL258295)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372554
PNG
(CHEMBL258295)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372557
PNG
(CHEMBL257040)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h8-11,15,18-19H,1-7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372557
PNG
(CHEMBL257040)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h8-11,15,18-19H,1-7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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9.10E+3n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372554
PNG
(CHEMBL258295)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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n/an/an/an/a 5n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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n/an/an/an/a 1n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372554
PNG
(CHEMBL258295)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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n/an/an/an/a 2.10n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372557
PNG
(CHEMBL257040)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h8-11,15,18-19H,1-7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372553
PNG
(CHEMBL256630)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H31FN6O2/c21-15-8-6-14(7-9-15)13-16(22)18(28)26-17(5-4-10-25-20(23)24)19(29)27-11-2-1-3-12-27/h6-9,16-17H,1-5,10-13,22H2,(H,26,28)(H4,23,24,25)/t16-,17+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)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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n/an/an/an/a 160n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372554
PNG
(CHEMBL258295)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372552
PNG
(CHEMBL403722)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
Show InChI InChI=1S/C21H30FN5O/c22-19-8-6-16(7-9-19)12-20(23)21(28)25-11-10-18(13-27-15-24-14-26-27)17-4-2-1-3-5-17/h6-9,14-15,17-18,20H,1-5,10-13,23H2,(H,25,28)/t18?,20-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372556
PNG
(CHEMBL429742)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50372557
PNG
(CHEMBL257040)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h8-11,15,18-19H,1-7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372557
PNG
(CHEMBL257040)
Show SMILES [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h8-11,15,18-19H,1-7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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n/an/an/an/a>1.50E+4n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50372555
PNG
(CHEMBL272099)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5O/c24-20-8-6-18(7-9-20)14-21(25)22(30)28-12-10-23(11-13-28,15-29-17-26-16-27-29)19-4-2-1-3-5-19/h6-9,16-17,19,21H,1-5,10-15,25H2/t21-/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1223-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.109
BindingDB Entry DOI: 10.7270/Q2TM7BZM
More data for this
Ligand-Target Pair