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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor (C5aR)' and Ligand = 'BDBM50413239'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50413239
PNG
(CHEMBL472268)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccoc2C)c(OC)c1 |r|
Show InChI InChI=1S/C25H27FN2O6/c1-15(29)14-27-24(30)23(19-7-5-6-8-20(19)26)28(25(31)18-11-12-34-16(18)2)21-10-9-17(32-3)13-22(21)33-4/h5-13,15,23,29H,14H2,1-4H3,(H,27,30)/t15-,23?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/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