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SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=QEPJRHCJSLUZAD-UDQMZMDLSA-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 4 hits for monomerid = 50250581   
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))
BDBM50250581
PNG
(CHEMBL4068475)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C75H101N19O15/c1-41(2)28-54(93-74(109)64(43(5)6)94-65(100)51(76)30-46-23-25-49(95)26-24-46)66(101)84-39-62(97)86-59(34-48-37-80-40-85-48)72(107)90-57(32-45-18-11-8-12-19-45)70(105)88-55(29-42(3)4)69(104)91-58(33-47-36-82-52-21-14-13-20-50(47)52)71(106)92-60(35-63(98)99)73(108)87-53(22-15-27-81-75(78)79)68(103)89-56(67(102)83-38-61(77)96)31-44-16-9-7-10-17-44/h7-14,16-21,23-26,36-37,40-43,51,53-60,64,82,95H,15,22,27-35,38-39,76H2,1-6H3,(H2,77,96)(H,80,85)(H,83,102)(H,84,101)(H,86,97)(H,87,108)(H,88,105)(H,89,103)(H,90,107)(H,91,104)(H,92,106)(H,93,109)(H,94,100)(H,98,99)(H4,78,79,81)/t51-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 604n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50250581
PNG
(CHEMBL4068475)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C75H101N19O15/c1-41(2)28-54(93-74(109)64(43(5)6)94-65(100)51(76)30-46-23-25-49(95)26-24-46)66(101)84-39-62(97)86-59(34-48-37-80-40-85-48)72(107)90-57(32-45-18-11-8-12-19-45)70(105)88-55(29-42(3)4)69(104)91-58(33-47-36-82-52-21-14-13-20-50(47)52)71(106)92-60(35-63(98)99)73(108)87-53(22-15-27-81-75(78)79)68(103)89-56(67(102)83-38-61(77)96)31-44-16-9-7-10-17-44/h7-14,16-21,23-26,36-37,40-43,51,53-60,64,82,95H,15,22,27-35,38-39,76H2,1-6H3,(H2,77,96)(H,80,85)(H,83,102)(H,84,101)(H,86,97)(H,87,108)(H,88,105)(H,89,103)(H,90,107)(H,91,104)(H,92,106)(H,93,109)(H,94,100)(H,98,99)(H4,78,79,81)/t51-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 137n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50250581
PNG
(CHEMBL4068475)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C75H101N19O15/c1-41(2)28-54(93-74(109)64(43(5)6)94-65(100)51(76)30-46-23-25-49(95)26-24-46)66(101)84-39-62(97)86-59(34-48-37-80-40-85-48)72(107)90-57(32-45-18-11-8-12-19-45)70(105)88-55(29-42(3)4)69(104)91-58(33-47-36-82-52-21-14-13-20-50(47)52)71(106)92-60(35-63(98)99)73(108)87-53(22-15-27-81-75(78)79)68(103)89-56(67(102)83-38-61(77)96)31-44-16-9-7-10-17-44/h7-14,16-21,23-26,36-37,40-43,51,53-60,64,82,95H,15,22,27-35,38-39,76H2,1-6H3,(H2,77,96)(H,80,85)(H,83,102)(H,84,101)(H,86,97)(H,87,108)(H,88,105)(H,89,103)(H,90,107)(H,91,104)(H,92,106)(H,93,109)(H,94,100)(H,98,99)(H4,78,79,81)/t51-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50250581
PNG
(CHEMBL4068475)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C75H101N19O15/c1-41(2)28-54(93-74(109)64(43(5)6)94-65(100)51(76)30-46-23-25-49(95)26-24-46)66(101)84-39-62(97)86-59(34-48-37-80-40-85-48)72(107)90-57(32-45-18-11-8-12-19-45)70(105)88-55(29-42(3)4)69(104)91-58(33-47-36-82-52-21-14-13-20-50(47)52)71(106)92-60(35-63(98)99)73(108)87-53(22-15-27-81-75(78)79)68(103)89-56(67(102)83-38-61(77)96)31-44-16-9-7-10-17-44/h7-14,16-21,23-26,36-37,40-43,51,53-60,64,82,95H,15,22,27-35,38-39,76H2,1-6H3,(H2,77,96)(H,80,85)(H,83,102)(H,84,101)(H,86,97)(H,87,108)(H,88,105)(H,89,103)(H,90,107)(H,91,104)(H,92,106)(H,93,109)(H,94,100)(H,98,99)(H4,78,79,81)/t51-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair