Brief Information of the Compound and Protein
Compound Name
CAS_75921-69-6
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PubChem ID
CID: 91898441
SID: 16544557
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
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Compound Formula C78H111N21O19
Compound Structure
Protein Name
Melanocortin receptor 3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Melanocortin receptor
Uniprot ID
P41968
Gene Name
MC3R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000404 BHK570 Mesocricetus auratus (Golden hamster)  1
1
Ki = 0.78 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 0.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.36 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.8 nM
   TI
   LI
   LO
   TS
4
EC50 = 6.8 nM
   TI
   LI
   LO
   TS
5
IC50 = 3.3 nM
   TI
   LI
   LO
   TS
CL000309 NCTC clone 929 Mus musculus (Mouse)  2
1
EC50 = 4.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 2.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.13 nM
2 IC50 = 1.17 nM
3 IC50 = 3.3 nM
4 IC50 = 3.8 nM
5 Ki = 0.68 nM