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BDBM50413251 CHEMBL469728

SMILES: COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2Cl)c(OC)c1

InChI Key: InChIKey=VDSCLGPCJYTMEO-CKAQCJTGSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50413251   
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))
BDBM50413251
PNG
(CHEMBL469728)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2Cl)c(OC)c1 |r|
Show InChI InChI=1S/C24H24ClFN2O6/c1-14(29)13-27-23(30)21(16-6-4-5-7-18(16)26)28(24(31)22-17(25)10-11-34-22)19-9-8-15(32-2)12-20(19)33-3/h4-12,14,21,29H,13H2,1-3H3,(H,27,30)/t14-,21?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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