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SMILES: CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=HXZUURPOFOTOOL-QGBCWPEESA-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 6 hits for monomerid = 50410245   
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 5


(Mus musculus (Mouse))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
PDB

KEGG

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n/an/a 316n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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Article
PubMed
n/an/an/an/a 158n/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/an/an/a 631n/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50410245
PNG
(CHEMBL191063)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-38(60)54-35(18-10-11-19-45)42(64)55-36(22-30-13-6-5-7-14-30)43(65)56(21-12-20-49-44(47)48)28-40(62)57(27-39(61)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,63)(H,53,58)(H,54,60)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells


J Med Chem 48: 4224-30 (2005)


Article DOI: 10.1021/jm0490033
BindingDB Entry DOI: 10.7270/Q2QV3NQ5
More data for this
Ligand-Target Pair