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47 similar compounds to monomer 50376797

Compile data set for download or QSAR
Wt: 400.5
BDBM50238586
Wt: 416.5
BDBM50251635
Wt: 416.5
BDBM50251636
Wt: 490.6
BDBM50251600
Wt: 428.6
BDBM50251601
Wt: 415.5
BDBM50251810
Wt: 444.6
BDBM50251602
Wt: 444.6
BDBM50251603
Wt: 476.6
BDBM50251712
Wt: 414.5
BDBM50251713
Wt: 430.5
BDBM50251750
Wt: 414.5
BDBM50251785
Wt: 411.5
BDBM50251846
Wt: 416.5
BDBM50251847
Wt: 414.5
BDBM50251561
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50238586,50251635,50251636,50251600,50251601,50251810,50251602,50251603,50251712,50251713,50251750,50251785,50251846,50251847,50251561   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
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 PRD

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(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 PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(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 (C5aR)


(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 (C5aR)


(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
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Ligand-Target Pair