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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50251425'   
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 1


(Homo sapiens (Human))
BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1S/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


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
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1S/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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