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BDBM50112890 CHEMBL3600833

SMILES: CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=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)NC1=O)C(N)=O

InChI Key: InChIKey=UBWLAYRWNUNYHG-WEIIMGFKSA-N

Data: 4 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50112890   
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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
PDB

KEGG

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n/an/a 1.40n/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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
UniProtKB/SwissProt

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n/an/a 47n/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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
PDB

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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 3


(Homo sapiens (Human))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
UniProtKB/SwissProt

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CHEMBL
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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 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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 3.40n/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 4


(Homo sapiens (Human))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 6.40n/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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
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n/an/an/an/a 51n/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))		BDBM50112890
PNG
(CHEMBL3600833)
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)NC(=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/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem
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n/an/an/an/a 1.06E+3n/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