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BDBM50080877 CHEMBL3421679

SMILES: CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O

InChI Key: InChIKey=MNSNXOUQPSOGHN-HBIJTUFPNA-N

Data: 4 IC50  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 7 hits for monomerid = 50080877   
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))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 594n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.00E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
UniProtKB/SwissProt

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n/an/a>2.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/a 37n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 220n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 227n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair