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BDBM50134951 CHEMBL409636::H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp-Lys]-Arg-Phe-Gly-NH2

SMILES: CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=AMLJFTMENZUCBN-ALYHAIMFSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50134951   
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


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 340n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134951
PNG
(CHEMBL409636 | H-Tyr-Val-Nle-c[Asp-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=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)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C79H109N23O14/c1-4-5-23-55(96-77(116)66(45(2)3)102-67(106)53(80)35-48-28-30-51(103)31-29-48)70(109)101-63-40-65(105)87-32-15-14-25-56(69(108)93-57(26-16-33-88-78(82)83)71(110)97-59(68(107)91-43-64(81)104)36-46-18-8-6-9-19-46)94-74(113)61(38-49-41-90-54-24-13-12-22-52(49)54)99-72(111)58(27-17-34-89-79(84)85)95-73(112)60(37-47-20-10-7-11-21-47)98-75(114)62(100-76(63)115)39-50-42-86-44-92-50/h6-13,18-22,24,28-31,41-42,44-45,53,55-63,66,90,103H,4-5,14-17,23,25-27,32-40,43,80H2,1-3H3,(H2,81,104)(H,86,92)(H,87,105)(H,91,107)(H,93,108)(H,94,113)(H,95,112)(H,96,116)(H,97,110)(H,98,114)(H,99,111)(H,100,115)(H,101,109)(H,102,106)(H4,82,83,88)(H4,84,85,89)/t53-,55-,56+,57-,58-,59-,60+,61+,62-,63-,66-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
5.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair