BindingDB logo
myBDB logout

BDBM50376798 CHEMBL407004

SMILES: CCN(C1CCCc2nc(Cl)cc(OC)c12)c1cccc2ccccc12

InChI Key: InChIKey=PFWXTNUVYDWTEH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376798   
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))
BDBM50376798
PNG
(CHEMBL407004)
Show SMILES CCN(C1CCCc2nc(Cl)cc(OC)c12)c1cccc2ccccc12 |w:3.2|
Show InChI InChI=1S/C22H23ClN2O/c1-3-25(18-12-6-9-15-8-4-5-10-16(15)18)19-13-7-11-17-22(19)20(26-2)14-21(23)24-17/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair