BDBM50230822 (3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidopropyl)-9-(1H-indol-3-ylmethyl)-1,4,7,10,18,21-hexaoxo-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16H,17H,18H,21H,23H,24H,25H,25aH-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide::CHEMBL400866

SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O

InChI Key InChIKey=HIYNTZOLQGBWSI-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50230822   

TargetMelanocortin receptor 3(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50230822((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Affinity DataEC50:  100nMAssay Description:Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50230822((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Affinity DataIC50: 160nMAssay Description:Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 5(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50230822((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Affinity DataIC50: 790nMAssay Description:Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed
TargetMelanocortin receptor 3(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50230822((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed
TargetMelanocyte-stimulating hormone receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50230822((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Affinity DataIC50: 1.00E+4nMAssay Description:Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2012
Entry Details Article
PubMed