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SMILES: CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O

InChI Key: InChIKey=CHPABUPLIAAUIT-GYZURFONSA-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 = 50112897   
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))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
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n/an/a 111n/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 4


(Homo sapiens (Human))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
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n/an/an/an/a>1.00E+4n/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
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
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n/an/an/an/a 460n/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
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
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n/an/an/an/a 463n/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 3


(Homo sapiens (Human))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
UniProtKB/SwissProt

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UniChem

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n/an/a 20n/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))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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n/an/a 59n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
PDB

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n/an/an/an/a 1.56E+3n/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))		BDBM50112897
PNG
(CHEMBL3600840)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)68-44-29-48(73)61-23-12-11-19-41(49(57)74)66-53(78)47(27-37-30-63-40-18-10-9-16-39(37)40)71(4)55(80)46(20-13-24-62-56(58)59)70(3)54(79)45(26-34-21-22-35-14-7-8-15-36(35)25-34)69-51(76)43(67-52(44)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,77)(H,68,75)(H,69,76)(H4,58,59,62)/t41-,42+,43-,44-,45+,46-,47-/m0/s1
UniProtKB/SwissProt

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PC cid
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UniChem

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n/an/a 16n/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