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BDBM50305737 CHEMBL604277::N,N'-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide)

SMILES: Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=WLHVFPKZYDQKGS-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50305737   
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))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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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 (C5aR)


(Homo sapiens (Human))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor expressed in CHO cells


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
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 in human T cells


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))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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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
C5a anaphylatoxin chemotactic receptor


(Rattus norvegicus)
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at C5a receptor in rat RAW264.7 cells assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation afte...


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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
UniProtKB/SwissProt

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n/an/a>6.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CXCR3 in human T cells


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))
BDBM50305737
PNG
(CHEMBL604277 | N,N'-(1,2-phenylene)bis(N-allyl-4-m...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1N(CC=C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
PDB

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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 300n/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