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BDBM50266697 CHEMBL4100584

SMILES: CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=SVFOBYVGCNKSJK-FBBJYXRJSA-N

Data: 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 3 hits for monomerid = 50266697   
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


(Mus musculus)
BDBM50266697
PNG
(CHEMBL4100584)
Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C42H47IN8O5/c1-26(52)51-25-32-11-6-5-10-31(32)24-37(51)41(56)48-34(12-7-21-47-42(45)46)39(54)50-36(23-28-15-19-33(43)20-16-28)40(55)49-35(38(44)53)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,34-37H,7,12,21-25H2,1H3,(H2,44,53)(H,48,56)(H,49,55)(H,50,54)(H4,45,46,47)/t34-,35-,36+,37-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50266697
PNG
(CHEMBL4100584)
Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C42H47IN8O5/c1-26(52)51-25-32-11-6-5-10-31(32)24-37(51)41(56)48-34(12-7-21-47-42(45)46)39(54)50-36(23-28-15-19-33(43)20-16-28)40(55)49-35(38(44)53)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,34-37H,7,12,21-25H2,1H3,(H2,44,53)(H,48,56)(H,49,55)(H,50,54)(H4,45,46,47)/t34-,35-,36+,37-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.10E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50266697
PNG
(CHEMBL4100584)
Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C42H47IN8O5/c1-26(52)51-25-32-11-6-5-10-31(32)24-37(51)41(56)48-34(12-7-21-47-42(45)46)39(54)50-36(23-28-15-19-33(43)20-16-28)40(55)49-35(38(44)53)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,34-37H,7,12,21-25H2,1H3,(H2,44,53)(H,48,56)(H,49,55)(H,50,54)(H4,45,46,47)/t34-,35-,36+,37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair