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PubMed code 19171482

Compile data set for download or QSAR
Found 22 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))
BDBM50413241
PNG
(CHEMBL513412)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2C)c(OC)c1 |r|
Show InChI InChI=1S/C25H27FN2O6/c1-15-11-12-34-23(15)25(31)28(20-10-9-17(32-3)13-21(20)33-4)22(24(30)27-14-16(2)29)18-7-5-6-8-19(18)26/h5-13,16,22,29H,14H2,1-4H3,(H,27,30)/t16-,22?/m1/s1
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n/an/a 19.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413240
PNG
(CHEMBL471412)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413240
PNG
(CHEMBL471412)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
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n/an/a 31.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413240
PNG
(CHEMBL471412)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
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n/an/a 39.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413239
PNG
(CHEMBL472268)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccoc2C)c(OC)c1 |r|
Show InChI InChI=1S/C25H27FN2O6/c1-15(29)14-27-24(30)23(19-7-5-6-8-20(19)26)28(25(31)18-11-12-34-16(18)2)21-10-9-17(32-3)13-22(21)33-4/h5-13,15,23,29H,14H2,1-4H3,(H,27,30)/t15-,23?/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413238
PNG
(CHEMBL511782)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 |r|
Show InChI InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m1/s1
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413247
PNG
(CHEMBL472455)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1
Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413245
PNG
(CHEMBL469535)
Show SMILES COc1ccc(N(C(C(=O)NC[C@H](C)O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1 |r|
Show InChI InChI=1S/C26H27FN2O5/c1-17(30)16-28-25(31)24(20-11-7-8-12-21(20)27)29(26(32)18-9-5-4-6-10-18)22-14-13-19(33-2)15-23(22)34-3/h4-15,17,24,30H,16H2,1-3H3,(H,28,31)/t17-,24?/m0/s1
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n/an/a>100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413252
PNG
(CHEMBL469727)
Show SMILES COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c1ccccc1F)c1ccc(OC)cc1OC |r|
Show InChI InChI=1S/C26H29FN2O7/c1-16(30)14-28-25(31)23(19-7-5-6-8-20(19)27)29(21-10-9-18(34-3)13-22(21)35-4)26(32)24-17(15-33-2)11-12-36-24/h5-13,16,23,30H,14-15H2,1-4H3,(H,28,31)/t16-,23?/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413247
PNG
(CHEMBL472455)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1
Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413251
PNG
(CHEMBL469728)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2Cl)c(OC)c1 |r|
Show InChI InChI=1S/C24H24ClFN2O6/c1-14(29)13-27-23(30)21(16-6-4-5-7-18(16)26)28(24(31)22-17(25)10-11-34-22)19-9-8-15(32-2)12-20(19)33-3/h4-12,14,21,29H,13H2,1-3H3,(H,27,30)/t14-,21?/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413247
PNG
(CHEMBL472455)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1
Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)
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n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413250
PNG
(CHEMBL513370)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2ccoc2Cl)c(OC)c1 |r|
Show InChI InChI=1S/C24H24ClFN2O6/c1-14(29)13-27-23(30)21(16-6-4-5-7-18(16)26)28(24(31)17-10-11-34-22(17)25)19-9-8-15(32-2)12-20(19)33-3/h4-12,14,21,29H,13H2,1-3H3,(H,27,30)/t14-,21?/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413240
PNG
(CHEMBL471412)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413249
PNG
(CHEMBL450470)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(C)=O)c(OC)c1
Show InChI InChI=1S/C23H27FN2O4/c1-15(27)26(20-13-12-17(29-2)14-21(20)30-3)22(18-10-6-7-11-19(18)24)23(28)25-16-8-4-5-9-16/h6-7,10-14,16,22H,4-5,8-9H2,1-3H3,(H,25,28)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413248
PNG
(CHEMBL513757)
Show SMILES COc1ccc(N(C(C(=O)NC(C)CN(C)C)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H32FN3O4/c1-19(18-31(2)3)30-27(33)26(22-13-9-10-14-23(22)29)32(28(34)20-11-7-6-8-12-20)24-16-15-21(35-4)17-25(24)36-5/h6-17,19,26H,18H2,1-5H3,(H,30,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413246
PNG
(CHEMBL512543)
Show SMILES COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c2occc2CN(C)C)c(OC)c1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-17(32)15-29-26(33)24(20-8-6-7-9-21(20)28)31(22-11-10-19(35-4)14-23(22)36-5)27(34)25-18(12-13-37-25)16-30(2)3/h6-14,17,24,32H,15-16H2,1-5H3,(H,29,33)/t17-,24?/m1/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413247
PNG
(CHEMBL472455)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccco2)c(OC)c1
Show InChI InChI=1S/C26H27FN2O5/c1-32-18-13-14-21(23(16-18)33-2)29(26(31)22-12-7-15-34-22)24(19-10-5-6-11-20(19)27)25(30)28-17-8-3-4-9-17/h5-7,10-17,24H,3-4,8-9H2,1-2H3,(H,28,30)
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n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413244
PNG
(CHEMBL513229)
Show SMILES COc1ccc(N(C(C(O)=O)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C23H20FNO5/c1-29-16-12-13-19(20(14-16)30-2)25(22(26)15-8-4-3-5-9-15)21(23(27)28)17-10-6-7-11-18(17)24/h3-14,21H,1-2H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413243
PNG
(CHEMBL472258)
Show SMILES COc1ccc(N(C(C)C(=O)NC2CCCC2)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C23H28N2O4/c1-16(22(26)24-18-11-7-8-12-18)25(23(27)17-9-5-4-6-10-17)20-14-13-19(28-2)15-21(20)29-3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413242
PNG
(CHEMBL472051)
Show SMILES CN(C(C(=O)NC1CCCC1)c1ccccc1F)C(=O)c1ccccc1
Show InChI InChI=1S/C21H23FN2O2/c1-24(21(26)15-9-3-2-4-10-15)19(17-13-7-8-14-18(17)22)20(25)23-16-11-5-6-12-16/h2-4,7-10,13-14,16,19H,5-6,11-12H2,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50413240
PNG
(CHEMBL471412)
Show SMILES COc1ccc(N(C(C(=O)NC2CCCC2)c2ccccc2F)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
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n/an/an/an/a 123n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor expressed in HEK cells assessed as inhibition of C5a-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1143-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.104
BindingDB Entry DOI: 10.7270/Q2Q241G1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%