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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 = 'BDBM50251811'   
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))
BDBM50251811
PNG
(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(O)=O
Show InChI InChI=1/C27H30N2O3/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(32-3)26-21(14-9-15-22(26)29-23)28-20-13-7-6-12-19(20)27(30)31/h6-8,10-13,16,21,28H,4-5,9,14-15H2,1-3H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair