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SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O

InChI Key: InChIKey=BGHGOKPNEQCGCY-RSTNRAGRSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50141028   
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


(Mus musculus)
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 5.10n/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 4


(Mus musculus)
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
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PubMed
n/an/an/an/a 51n/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))
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
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Article
PubMed
n/an/an/an/a 1.00E+3n/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
Melanocortin receptor 3


(Rattus norvegicus)
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
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UniChem

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Article
PubMed
n/an/an/an/a 75n/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))
BDBM50141028
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-16-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H67N15O9S2/c1-29(68)43(44(54)69)67-47(72)38-18-20-77-78-27-42(66-45(70)35(53)21-30-11-4-2-5-12-30)51(76)65-41(24-33-26-57-28-60-33)50(75)63-39(22-31-13-6-3-7-14-31)48(73)61-37(17-10-19-58-52(55)56)46(71)64-40(49(74)62-38)23-32-25-59-36-16-9-8-15-34(32)36/h2-9,11-16,25-26,28-29,35,37-43,59,68H,10,17-24,27,53H2,1H3,(H2,54,69)(H,57,60)(H,61,73)(H,62,74)(H,63,75)(H,64,71)(H,65,76)(H,66,70)(H,67,72)(H4,55,56,58)/t29-,35+,37+,38-,39-,40-,41+,42+,43+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.20n/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