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BDBM50413252 CHEMBL469727

SMILES: COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c1ccccc1F)c1ccc(OC)cc1OC

InChI Key: InChIKey=FPGMKZRKIUKJOT-ADRQNKRLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50413252   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413252
PNG
(CHEMBL469727)
Show SMILES COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c1ccccc1F)c1ccc(OC)cc1OC |r|
Show InChI InChI=1S/C26H29FN2O7/c1-16(30)14-28-25(31)23(19-7-5-6-8-20(19)27)29(21-10-9-18(34-3)13-22(21)35-4)26(32)24-17(15-33-2)11-12-36-24/h5-13,16,23,30H,14-15H2,1-4H3,(H,28,31)/t16-,23?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair