BDBM50077506 (S)-2-Acetylamino-N-[(5S,9R,12S,15R,17aS)-15-cyclohexylmethyl-9-(2-guanidino-ethyl)-12-(1H-indol-3-ylmethyl)-4,8,11,14,17-pentaoxo-hexadecahydro-3a,7,10,13,16-pentaaza-cyclopentacyclohexadecen-5-yl]-3-phenyl-propionamide::CHEMBL58781

SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)[C@@H](CCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O

InChI Key InChIKey=CDFLGDRVBOZIAS-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50077506   

TargetC5a anaphylatoxin chemotactic receptor 1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50077506((S)-2-Acetylamino-N-[(5S,9R,12S,15R,17aS)-15-cyclo...)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetC5a anaphylatoxin chemotactic receptor 1(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50077506((S)-2-Acetylamino-N-[(5S,9R,12S,15R,17aS)-15-cyclo...)
Affinity DataIC50: 9.55E+3nMAssay Description:Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed