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SMILES: CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O

InChI Key: InChIKey=XMQSVPKHHVWBGS-SXZWXXKZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50112907   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/an/an/a 2.37E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/an/an/a 239n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC5 receptor expressed in HEK293 cells after 40 mins by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50112907
PNG
(CHEMBL3600918)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-45-30-49(74)62-24-13-12-20-46(50(58)75)70(3)55(80)44(28-38-31-64-41-19-11-10-17-40(38)41)69-52(77)47(21-14-25-63-57(59)60)71(4)54(79)43(27-35-22-23-36-15-8-9-16-37(36)26-35)68-53(78)48(72(5)56(45)81)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,78)(H,69,77)(H4,59,60,63)/t42-,43-,44+,45+,46+,47+,48+/m1/s1
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n/an/an/an/a 1.57E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting

J Med Chem 58: 6359-67 (2015)


BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair