BDBM50322618 (3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-(methylthio)butanoyl)pyrrolidine-2-carbonyl)-14-imino-3-isobutyl-6-methyl-4,7-dioxo-2,5,8,13-tetraazatetradecane-9-carboxylic acid::CHEMBL1170026

SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key InChIKey=ZFUAXYIQJCCADD-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50322618   

TargetC5a anaphylatoxin chemotactic receptor 1(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50322618((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetC3a anaphylatoxin chemotactic receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50322618((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Affinity DataIC50: 13nMAssay Description:Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetC3a anaphylatoxin chemotactic receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50322618((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Affinity DataEC50:  130nMAssay Description:Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium releaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50322618((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetC3a anaphylatoxin chemotactic receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50322618((3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-...)
Affinity DataEC50:  130nMAssay Description:Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed