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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 = 'BDBM50376817'   
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))
BDBM50376817
PNG
(CHEMBL259643)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/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))
BDBM50376817
PNG
(CHEMBL259643)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/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