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PubMed code 18595693

Compile data set for download or QSAR
Found 48 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 1


(Homo sapiens (Human))		BDBM50251714
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1C
Show InChI InChI=1S/C28H34N2O2/c1-6-19-10-8-11-20(7-2)27(19)25-17-26(32-5)28-22(12-9-13-23(28)30-25)29-24-16-21(31-4)15-14-18(24)3/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
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 10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251407
PNG
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO
Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
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 13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1S/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
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 21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
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 680n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251460
PNG
((+/-)-2-(2-(2-(2,6-diethylphenyl)-4-isopropoxy-5,6...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC(C)C)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1S/C30H38N2O2/c1-5-21-12-9-13-22(6-2)29(21)27-19-28(34-20(3)4)30-25(15-10-16-26(30)32-27)31-24-14-8-7-11-23(24)17-18-33/h7-9,11-14,19-20,25,31,33H,5-6,10,15-18H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251405
PNG
((2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(ccc1CO)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(35-3)27-21(10-7-11-22(27)33-24)32-23-14-20(28(29,30)31)13-12-19(23)16-34/h6,8-9,12-15,21,32,34H,4-5,7,10-11,16H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251404
PNG
((4-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(Cl)ccc1CO
Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-21(10-7-11-22(27)30-24)29-23-14-20(28)13-12-19(23)16-31/h6,8-9,12-15,21,29,31H,4-5,7,10-11,16H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1S/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251406
PNG
((2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(F)cc1CO
Show InChI InChI=1S/C27H31FN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
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n/an/a 53n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251407
PNG
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO
Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
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n/an/a 71n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251847
PNG
((2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CO
Show InChI InChI=1S/C27H32N2O2/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)29-24)28-21-13-7-6-10-20(21)17-30/h6-8,10-13,16,22,28,30H,4-5,9,14-15,17H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251714
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1C
Show InChI InChI=1S/C28H34N2O2/c1-6-19-10-8-11-20(7-2)27(19)25-17-26(32-5)28-22(12-9-13-23(28)30-25)29-24-16-21(31-4)15-14-18(24)3/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
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n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251748
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(2-methyl-5-(tri...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(ccc1C)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O/c1-5-18-9-7-10-19(6-2)26(18)24-16-25(34-4)27-21(11-8-12-22(27)33-24)32-23-15-20(28(29,30)31)14-13-17(23)3/h7,9-10,13-16,21,32H,5-6,8,11-12H2,1-4H3
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n/an/a 290n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251462
PNG
(2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Oc1cc(OC)ccc1C
Show InChI InChI=1S/C28H33NO3/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(31-5)28-22(29-23)12-9-13-24(28)32-25-16-21(30-4)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3
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n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251783
PNG
(CHEMBL518297 | N-(2-chloro-5-methoxyphenyl)-2-(2,6...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1Cl
Show InChI InChI=1S/C27H31ClN2O2/c1-5-17-9-7-10-18(6-2)26(17)24-16-25(32-4)27-21(11-8-12-22(27)30-24)29-23-15-19(31-3)13-14-20(23)28/h7,9-10,13-16,21,29H,5-6,8,11-12H2,1-4H3
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n/an/a 380n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251811
PNG
(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C27H30N2O3/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(32-3)26-21(14-9-15-22(26)29-23)28-20-13-7-6-12-19(20)27(30)31/h6-8,10-13,16,21,28H,4-5,9,14-15H2,1-3H3,(H,30,31)
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n/an/a 410n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251782
PNG
(2-(2,6-diethylphenyl)-N-(2,5-dimethoxyphenyl)-4-me...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1OC
Show InChI InChI=1S/C28H34N2O3/c1-6-18-10-8-11-19(7-2)27(18)24-17-26(33-5)28-21(12-9-13-22(28)30-24)29-23-16-20(31-3)14-15-25(23)32-4/h8,10-11,14-17,21,29H,6-7,9,12-13H2,1-5H3
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n/an/a 420n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251713
PNG
(2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-4-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(C)ccc1C
Show InChI InChI=1S/C28H34N2O/c1-6-20-10-8-11-21(7-2)27(20)25-17-26(31-5)28-22(12-9-13-23(28)30-25)29-24-16-18(3)14-15-19(24)4/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
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n/an/a 430n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251602
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(OC)ccc1C
Show InChI InChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-25(29)31(4)26-17-22(32-5)16-15-19(26)3/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
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n/an/a 560n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251601
PNG
((+/-)-2-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(C)ccc1C
Show InChI InChI=1S/C29H36N2O/c1-7-21-11-9-12-22(8-2)28(21)24-18-27(32-6)29-23(30-24)13-10-14-25(29)31(5)26-17-19(3)15-16-20(26)4/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3
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n/an/a 690n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251785
PNG
(2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-...)
Show SMILES CCc1ccccc1NC1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC
Show InChI InChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3
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n/an/a 730n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251561
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-o...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1C
Show InChI InChI=1S/C28H34N2O/c1-6-20-13-10-14-21(7-2)27(20)23-18-26(31-5)28-22(29-23)15-11-17-25(28)30(4)24-16-9-8-12-19(24)3/h8-10,12-14,16,18,25H,6-7,11,15,17H2,1-5H3
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n/an/a 790n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251674
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-o-tolyl-5,6,7,8-...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-9-13-20(6-2)26(19)24-17-25(30-4)27-22(15-10-16-23(27)29-24)28-21-14-8-7-11-18(21)3/h7-9,11-14,17,22,28H,5-6,10,15-16H2,1-4H3
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n/an/a 910n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251634
PNG
((+/-)-N-(2-chloro-5-methoxyphenyl)-2-(2,6-diethylp...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(OC)ccc1Cl
Show InChI InChI=1S/C28H33ClN2O2/c1-6-18-10-8-11-19(7-2)27(18)23-17-26(33-5)28-22(30-23)12-9-13-24(28)31(3)25-16-20(32-4)14-15-21(25)29/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3
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n/an/a 950n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251711
PNG
(2-(2,6-diethylphenyl)-N-(5-fluoro-2-methylphenyl)-...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(F)ccc1C
Show InChI InChI=1S/C27H31FN2O/c1-5-18-9-7-10-19(6-2)26(18)24-16-25(31-4)27-21(11-8-12-22(27)30-24)29-23-15-20(28)14-13-17(23)3/h7,9-10,13-16,21,29H,5-6,8,11-12H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251676
PNG
(CHEMBL516444 | N-(5-chloro-2-methylphenyl)-2-(2,6-...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C27H31ClN2O/c1-5-18-9-7-10-19(6-2)26(18)24-16-25(31-4)27-21(11-8-12-22(27)30-24)29-23-15-20(28)14-13-17(23)3/h7,9-10,13-16,21,29H,5-6,8,11-12H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251463
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Oc1ccccc1CCO
Show InChI InChI=1S/C28H33NO3/c1-4-19-11-8-12-20(5-2)27(19)23-18-26(31-3)28-22(29-23)13-9-15-25(28)32-24-14-7-6-10-21(24)16-17-30/h6-8,10-12,14,18,25,30H,4-5,9,13,15-17H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251751
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxy-2-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(OC)cc1C
Show InChI InChI=1S/C28H34N2O2/c1-6-19-10-8-11-20(7-2)27(19)25-17-26(32-5)28-23(12-9-13-24(28)30-25)29-22-15-14-21(31-4)16-18(22)3/h8,10-11,14-17,23,29H,6-7,9,12-13H2,1-5H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251712
PNG
(CHEMBL479392 | [2-(2,6-Diethyl-phenyl)-4-methoxy-5...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(ccc1C)-c1ccccc1
Show InChI InChI=1S/C33H36N2O/c1-5-23-14-10-15-24(6-2)32(23)30-21-31(36-4)33-27(16-11-17-28(33)35-30)34-29-20-26(19-18-22(29)3)25-12-8-7-9-13-25/h7-10,12-15,18-21,27,34H,5-6,11,16-17H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251562
PNG
((+/-)-N-(5-chloro-2-methylphenyl)-2-(2,6-diethylph...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C28H33ClN2O/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(32-5)28-22(30-23)12-9-13-24(28)31(4)25-16-21(29)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251633
PNG
((+/-)-2-(2,6-diethylphenyl)-N-(2,5-dimethoxyphenyl...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C29H36N2O3/c1-7-19-11-9-12-20(8-2)28(19)23-18-27(34-6)29-22(30-23)13-10-14-24(29)31(3)25-17-21(32-4)15-16-26(25)33-5/h9,11-12,15-18,24H,7-8,10,13-14H2,1-6H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251635
PNG
((+/-)-2-(2,6-dimethylphenyl)-4-methoxy-N-(5-methox...)
Show SMILES COc1ccc(C)c(c1)N(C)C1CCCc2nc(cc(OC)c12)-c1c(C)cccc1C
Show InChI InChI=1S/C27H32N2O2/c1-17-13-14-20(30-5)15-24(17)29(4)23-12-8-11-21-27(23)25(31-6)16-22(28-21)26-18(2)9-7-10-19(26)3/h7,9-10,13-16,23H,8,11-12H2,1-6H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251461
PNG
((3-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cnccc1CO
Show InChI InChI=1S/C26H31N3O2/c1-4-17-8-6-9-18(5-2)25(17)22-14-24(31-3)26-20(28-22)10-7-11-21(26)29-23-15-27-13-12-19(23)16-30/h6,8-9,12-15,21,29-30H,4-5,7,10-11,16H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251846
PNG
(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C#N
Show InChI InChI=1S/C27H29N3O/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)30-24)29-21-13-7-6-10-20(21)17-28/h6-8,10-13,16,22,29H,4-5,9,14-15H2,1-3H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251810
PNG
(CHEMBL481357 | N-(2-(aminomethyl)phenyl)-2-(2,6-di...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CN
Show InChI InChI=1S/C27H33N3O/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)30-24)29-21-13-7-6-10-20(21)17-28/h6-8,10-13,16,22,29H,4-5,9,14-15,17,28H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251603
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccc(OC)cc1C
Show InChI InChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-26(29)31(4)25-16-15-22(32-5)17-19(25)3/h9,11-12,15-18,26H,7-8,10,13-14H2,1-6H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251675
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(3-methoxyphenyl...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cccc(OC)c1
Show InChI InChI=1S/C27H32N2O2/c1-5-18-10-7-11-19(6-2)26(18)24-17-25(31-4)27-22(14-9-15-23(27)29-24)28-20-12-8-13-21(16-20)30-3/h7-8,10-13,16-17,22,28H,5-6,9,14-15H2,1-4H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251812
PNG
(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(N)=O
Show InChI InChI=1S/C27H31N3O2/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(32-3)26-21(14-9-15-22(26)30-23)29-20-13-7-6-12-19(20)27(28)31/h6-8,10-13,16,21,29H,4-5,9,14-15H2,1-3H3,(H2,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251844
PNG
(1-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(C)=O
Show InChI InChI=1S/C28H32N2O2/c1-5-19-11-9-12-20(6-2)27(19)25-17-26(32-4)28-23(15-10-16-24(28)30-25)29-22-14-8-7-13-21(22)18(3)31/h7-9,11-14,17,23,29H,5-6,10,15-16H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251750
PNG
((3-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(CO)ccc1C
Show InChI InChI=1S/C28H34N2O2/c1-5-20-9-7-10-21(6-2)27(20)25-16-26(32-4)28-22(11-8-12-23(28)30-25)29-24-15-19(17-31)14-13-18(24)3/h7,9-10,13-16,22,29,31H,5-6,8,11-12,17H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251749
PNG
(3-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahy...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(O)ccc1C
Show InChI InChI=1S/C27H32N2O2/c1-5-18-9-7-10-19(6-2)26(18)24-16-25(31-4)27-21(11-8-12-22(27)29-24)28-23-15-20(30)14-13-17(23)3/h7,9-10,13-16,21,28,30H,5-6,8,11-12H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251600
PNG
((+/-)-[2-(2,6-Diethyl-phenyl)-4-methoxy-5,6,7,8-te...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cc(ccc1C)-c1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-6-24-15-11-16-25(7-2)33(24)29-22-32(37-5)34-28(35-29)17-12-18-30(34)36(4)31-21-27(20-19-23(31)3)26-13-9-8-10-14-26/h8-11,13-16,19-22,30H,6-7,12,17-18H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251813
PNG
(CHEMBL480947 | methyl 2-(2-(2,6-diethylphenyl)-4-m...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(=O)OC
Show InChI InChI=1S/C28H32N2O3/c1-5-18-11-9-12-19(6-2)26(18)24-17-25(32-3)27-22(15-10-16-23(27)30-24)29-21-14-8-7-13-20(21)28(31)33-4/h7-9,11-14,17,22,29H,5-6,10,15-16H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251845
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(2-(trifluoromet...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O/c1-4-17-10-8-11-18(5-2)25(17)23-16-24(33-3)26-21(14-9-15-22(26)32-23)31-20-13-7-6-12-19(20)27(28,29)30/h6-8,10-13,16,21,31H,4-5,9,14-15H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251636
PNG
((+/-)-2-(2,6-dimethylphenyl)-4-methoxy-N-(3-methox...)
Show SMILES COc1cccc(N(C)C2CCCc3nc(cc(OC)c23)-c2c(C)cccc2C)c1C
Show InChI InChI=1S/C27H32N2O2/c1-17-10-7-11-18(2)26(17)21-16-25(31-6)27-20(28-21)12-8-14-23(27)29(4)22-13-9-15-24(30-5)19(22)3/h7,9-11,13,15-16,23H,8,12,14H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251784
PNG
(CHEMBL479539 | [2-(2,6-Diethyl-phenyl)-4-methoxy-5...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1-c1ccccc1
Show InChI InChI=1S/C33H36N2O2/c1-5-22-14-10-15-23(6-2)32(22)30-21-31(37-4)33-27(16-11-17-28(33)35-30)34-29-20-25(36-3)18-19-26(29)24-12-8-7-9-13-24/h7-10,12-15,18-21,27,34H,5-6,11,16-17H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM50251673
PNG
((+/-)-N,2-bis(2,6-dimethylphenyl)-4-methoxy-N-meth...)
Show SMILES COc1cc(nc2CCCC(N(C)c3c(C)cccc3C)c12)-c1c(C)cccc1C
Show InChI InChI=1S/C27H32N2O/c1-17-10-7-11-18(2)25(17)22-16-24(30-6)26-21(28-22)14-9-15-23(26)29(5)27-19(3)12-8-13-20(27)4/h7-8,10-13,16,23H,9,14-15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%