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BDBM50305742 CHEMBL605416::N,N'-(propane-1,3-diyl)bis(4-methyl-N-phenylbenzenesulfonamide)

SMILES: Cc1ccc(cc1)S(=O)(=O)N(CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1

InChI Key: InChIKey=SGVPWBUQRZBOIF-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50305742   
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))
BDBM50305742
PNG
(CHEMBL605416 | N,N'-(propane-1,3-diyl)bis(4-methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O4S2/c1-24-14-18-28(19-15-24)36(32,33)30(26-10-5-3-6-11-26)22-9-23-31(27-12-7-4-8-13-27)37(34,35)29-20-16-25(2)17-21-29/h3-8,10-21H,9,22-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 (C5aR)


(Homo sapiens (Human))
BDBM50305742
PNG
(CHEMBL605416 | N,N'-(propane-1,3-diyl)bis(4-methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O4S2/c1-24-14-18-28(19-15-24)36(32,33)30(26-10-5-3-6-11-26)22-9-23-31(27-12-7-4-8-13-27)37(34,35)29-20-16-25(2)17-21-29/h3-8,10-21H,9,22-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 C5a receptor in human PMNC assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation after 10 min...


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