BDBM50322617 (3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14S)-14-amino-8-((R)-1-hydroxyethyl)-15-(1H-imidazol-5-yl)-5,11-diisobutyl-2-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-24-((S)-2-((S)-1-carboxy-2-phenylethylcarbamoyl)pyrrolidine-1-carbonyl)-21-(hydroxymethyl)-6,9,18-triisobutyl-12,15-bis(mercaptomethyl)-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosan-1-oic acid::CHEMBL1170025

SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=CYLQZMDPLMYAJE-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50322617   

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

Curated by ChEMBL
LigandPNGBDBM50322617((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Affinity DataIC50: 560nMAssay 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
LigandPNGBDBM50322617((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Affinity DataIC50: 250nMAssay 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
LigandPNGBDBM50322617((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Affinity DataEC50:  1.80E+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
LigandPNGBDBM50322617((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Affinity DataIC50: 560nMAssay 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
LigandPNGBDBM50322617((3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14...)
Affinity DataEC50:  1.80E+3nMAssay 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