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SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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=HEOQNUAQOHARQX-UCJIMMPYSA-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 = 50141029   
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))
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
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antibodypedia
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Article
PubMed
n/an/an/an/a 1.00E+4n/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 4


(Mus musculus)
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
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PubMed
n/an/an/an/a 8.90n/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
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.550n/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
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,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 35n/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)
BDBM50141029
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[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/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 31n/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