BindingDB logo
myBDB logout

PubMed code 20004096

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
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))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70n/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
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

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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 (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

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/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 (C5aR)


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/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


(Rattus norvegicus)
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305732
PNG
(CHEMBL595824 | N-(2-benzoyl-4-chlorophenyl)-N,4-di...)
Show SMILES CN(c1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18ClNO3S/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

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.70E+3n/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 (C5aR)


(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

GoogleScholar
Purchase

CHEMBL
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 (C5aR)


(Homo sapiens (Human))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.83E+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))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.45E+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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305738
PNG
(1,4-ditosyl-1,2,3,4-tetrahydroquinoxaline | CHEMBL...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-17-7-11-19(12-8-17)29(25,26)23-15-16-24(22-6-4-3-5-21(22)23)30(27,28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
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
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
PDB

UniProtKB/SwissProt

GoogleScholar
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
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


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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 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

GoogleScholar
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
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))
BDBM50305736
PNG
(CHEMBL593033 | N,N'-(1,2-phenylene)bis(N-methylben...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50305739
PNG
(5,12-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H26N2O4S2/c1-21-11-15-25(16-12-21)35(31,32)29-19-23-7-3-4-8-24(23)20-30(28-10-6-5-9-27(28)29)36(33,34)26-17-13-22(2)14-18-26/h3-18H,19-20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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

GoogleScholar
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
UniProtKB/SwissProt

GoogleScholar
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
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))
BDBM50305741
PNG
(1,4-ditosylpiperazine | CHEMBL596080)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305732
PNG
(CHEMBL595824 | N-(2-benzoyl-4-chlorophenyl)-N,4-di...)
Show SMILES CN(c1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18ClNO3S/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

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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


(Rattus norvegicus)
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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 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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305734
PNG
(CHEMBL611350 | N-(2-acetylphenyl)-N,4-dimethylbenz...)
Show SMILES CN(c1ccccc1C(C)=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO3S/c1-12-8-10-14(11-9-12)21(19,20)17(3)16-7-5-4-6-15(16)13(2)18/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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))
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

GoogleScholar
Purchase

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))
BDBM50305739
PNG
(5,12-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H26N2O4S2/c1-21-11-15-25(16-12-21)35(31,32)29-19-23-7-3-4-8-24(23)20-30(28-10-6-5-9-27(28)29)36(33,34)26-17-13-22(2)14-18-26/h3-18H,19-20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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


(Homo sapiens (Human))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



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))
BDBM50305734
PNG
(CHEMBL611350 | N-(2-acetylphenyl)-N,4-dimethylbenz...)
Show SMILES CN(c1ccccc1C(C)=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO3S/c1-12-8-10-14(11-9-12)21(19,20)17(3)16-7-5-4-6-15(16)13(2)18/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
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))
BDBM50305736
PNG
(CHEMBL593033 | N,N'-(1,2-phenylene)bis(N-methylben...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.00E+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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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
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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305738
PNG
(1,4-ditosyl-1,2,3,4-tetrahydroquinoxaline | CHEMBL...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-17-7-11-19(12-8-17)29(25,26)23-15-16-24(22-6-4-3-5-21(22)23)30(27,28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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))
BDBM50305741
PNG
(1,4-ditosylpiperazine | CHEMBL596080)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H22N2O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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

GoogleScholar
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))
BDBM50305732
PNG
(CHEMBL595824 | N-(2-benzoyl-4-chlorophenyl)-N,4-di...)
Show SMILES CN(c1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H18ClNO3S/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

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305740
PNG
(CHEMBL603858 | N-(2-(indoline-1-carbonyl)phenyl)-N...)
Show SMILES CN(c1ccccc1C(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O3S/c1-17-11-13-19(14-12-17)29(27,28)24(2)22-10-6-4-8-20(22)23(26)25-16-15-18-7-3-5-9-21(18)25/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305735
PNG
(CHEMBL595990 | N,N'-(1,2-phenylene)bis(N-methyl-1-...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305739
PNG
(5,12-ditosyl-5,6,11,12-tetrahydrodibenzo[b,f][1,4]...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H26N2O4S2/c1-21-11-15-25(16-12-21)35(31,32)29-19-23-7-3-4-8-24(23)20-30(28-10-6-5-9-27(28)29)36(33,34)26-17-13-22(2)14-18-26/h3-18H,19-20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305736
PNG
(CHEMBL593033 | N,N'-(1,2-phenylene)bis(N-methylben...)
Show SMILES CN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305738
PNG
(1,4-ditosyl-1,2,3,4-tetrahydroquinoxaline | CHEMBL...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-17-7-11-19(12-8-17)29(25,26)23-15-16-24(22-6-4-3-5-21(22)23)30(27,28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305734
PNG
(CHEMBL611350 | N-(2-acetylphenyl)-N,4-dimethylbenz...)
Show SMILES CN(c1ccccc1C(C)=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO3S/c1-12-8-10-14(11-9-12)21(19,20)17(3)16-7-5-4-6-15(16)13(2)18/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(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

GoogleScholar
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50305731
PNG
(CHEMBL604583 | N,4-dimethyl-N-(2-(thiophene-3-carb...)
Show SMILES CN(c1ccccc1C(=O)c1ccsc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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
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

KEGG

UniProtKB/SwissProt

GoogleScholar
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
* indicates data uncertainty>20%