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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor (C5aR)' and Ligand = 'BDBM50376824'   
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))
BDBM50376824
PNG
(CHEMBL408458)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
370n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376824
PNG
(CHEMBL408458)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/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