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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50305733'   
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))
BDBM50305733
PNG
(CHEMBL596055 | N-(2-benzoyl-4-bromophenyl)-N,4-dim...)
Show SMILES CN(c1ccc(Br)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18BrNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]human anaphylatoxin C5a from human C5a receptor expressed in CHO cells co-expressed with Galpha16 after 1 hr


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50305733
PNG
(CHEMBL596055 | N-(2-benzoyl-4-bromophenyl)-N,4-dim...)
Show SMILES CN(c1ccc(Br)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18BrNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as inhibition of anaphylatoxin C5a-induced intra...


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM50305733
PNG
(CHEMBL596055 | N-(2-benzoyl-4-bromophenyl)-N,4-dim...)
Show SMILES CN(c1ccc(Br)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18BrNO3S/c1-15-8-11-18(12-9-15)27(25,26)23(2)20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16/h3-14H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>6.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as effect on anaphylatoxin C5a-induced intracellula...


Bioorg Med Chem Lett 20: 662-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.058
BindingDB Entry DOI: 10.7270/Q2B8586C
More data for this
Ligand-Target Pair