BDBM50322619 (3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-benzyl-3-((S)-1-((S)-2-((S)-1-((R)-1-((S)-1-carboxy-4-guanidinobutylamino)-1-oxopropan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamoyl)pyrrolidin-1-yl)-4-(methylthio)-1-oxobutan-2-ylcarbamoyl)-12-(hydroxymethyl)-16-(4-hydroxyphenyl)-4-methyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazahexadecan-1-oic acid::CHEMBL1170027

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

InChI Key InChIKey=WQBVFWGIRDMMOA-UHFFFAOYSA-N

Data  4 IC50  1 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 = 50322619   

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

Curated by ChEMBL
LigandPNGBDBM50322619((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Affinity DataIC50: 2.90E+4nMAssay 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
LigandPNGBDBM50322619((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Affinity DataIC50: 740nMAssay 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
LigandPNGBDBM50322619((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Affinity DataEC50:  1.40E+3nMAssay 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
LigandPNGBDBM50322619((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Affinity DataIC50: 2.90E+4nMAssay 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
LigandPNGBDBM50322619((3S,6S,9S,12S,15S)-15-amino-6-(4-aminobutyl)-9-ben...)
Affinity DataIC50: 740nMAssay 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