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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 = 'BDBM50413246'   
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))
BDBM50413246
PNG
(CHEMBL512543)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2CN(C)C)c(OC)c1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-17(32)15-29-26(33)24(20-8-6-7-9-21(20)28)31(22-11-10-19(35-4)14-23(22)36-5)27(34)25-18(12-13-37-25)16-30(2)3/h6-14,17,24,32H,15-16H2,1-5H3,(H,29,33)/t17-,24?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+3n/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