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SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O

InChI Key: InChIKey=HJGHPWYMORIUAG-FFQQBTGJSA-N

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 5 hits for monomerid = 50141019   
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
Melanocortin receptor 4


(Mus musculus)
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 20n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration required for maximum agonist response at melanocortin 1 receptor from frog skin.


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 6.90n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response of mouse melanocortin 1 receptor (MC1R)


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 64n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response at rat melanocortin 3 receptor (MC3R)


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50141019
PNG
(CHEMBL411400 | H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.140n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximum agonist response for mouse melanocortin 5 receptor (MC5R)


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair