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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'buntinx' and Initial = 'm'   
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))
BDBM50376815
PNG
(CHEMBL259563)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12
Show InChI InChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
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7.30n/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))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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8.90n/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))
BDBM50376803
PNG
(CHEMBL262330)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
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9.70n/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))
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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(Homo sapiens (Human))
BDBM50376802
PNG
(CHEMBL258658)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H34N2O/c1-4-20-12-8-13-21(5-2)28(20)25-18-27(32-3)29-24(30-25)14-9-15-26(29)31-17-16-22-10-6-7-11-23(22)19-31/h6-8,10-13,18,26H,4-5,9,14-17,19H2,1-3H3
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35n/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))
BDBM50376817
PNG
(CHEMBL259643)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
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86n/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))
BDBM50376795
PNG
(CHEMBL260176)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
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180n/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))
BDBM50376831
PNG
(CHEMBL410032)
Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3
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180n/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))
BDBM50376824
PNG
(CHEMBL408458)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
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370n/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))
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))
BDBM50376818
PNG
(CHEMBL259984)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(OC)cccc1OC)c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O3/c1-5-32(24-15-8-12-20-11-6-7-13-21(20)24)25-16-9-14-22-29(25)28(35-4)19-23(31-22)30-26(33-2)17-10-18-27(30)34-3/h6-8,10-13,15,17-19,25H,5,9,14,16H2,1-4H3
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1.20E+3n/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))
BDBM50376816
PNG
(CHEMBL260175)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1F)c1cccc2ccccc12
Show InChI InChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
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3.70E+3n/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))
BDBM50376797
PNG
(CHEMBL259639)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3
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8.30E+3n/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))
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 (C5aR)


(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 (C5aR)


(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 (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 27n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(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 (C5aR)


(Homo sapiens (Human))
BDBM50376833
PNG
(CHEMBL258797)
Show SMILES CCN(C1CCCc2nc(cc(OC3CCCC3)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3
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n/an/a 37n/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))
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292637
PNG
((+)-1'-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4'...)
Show SMILES Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)
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n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
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n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376835
PNG
(CHEMBL261276)
Show SMILES CCOc1cc(nc2CCCC(N(CC)c3cccc4ccccc34)c12)-c1c(CC)cccc1CC
Show InChI InChI=1S/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
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n/an/a 67n/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))
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292671
PNG
((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376832
PNG
(CHEMBL408432)
Show SMILES CCN(C1CCCc2nc(cc(SC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2S/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 82n/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))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 100n/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))
BDBM50376827
PNG
(CHEMBL411265)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(Cl)cccc1OC)c1cccc2ccccc12
Show InChI InChI=1S/C29H29ClN2O2/c1-4-32(24-15-7-11-19-10-5-6-12-20(19)24)25-16-9-14-22-29(25)27(34-3)18-23(31-22)28-21(30)13-8-17-26(28)33-2/h5-8,10-13,15,17-18,25H,4,9,14,16H2,1-3H3
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n/an/a 110n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292665
PNG
((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292637
PNG
((+)-1'-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4'...)
Show SMILES Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)
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n/an/a 120n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
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))
BDBM50376829
PNG
(CHEMBL260476)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(C)cccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C30H32N2O/c1-5-32(26-17-9-14-22-13-6-7-15-23(22)26)27-18-10-16-24-30(27)28(33-4)19-25(31-24)29-20(2)11-8-12-21(29)3/h6-9,11-15,17,19,27H,5,10,16,18H2,1-4H3
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n/an/a 130n/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))
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292665
PNG
((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...)
Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292667
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H29BrN2O/c25-23-9-7-20(8-10-23)17-26-15-11-22(12-16-26)24(21-5-2-1-3-6-21)13-4-14-27(18-24)19-28/h1-3,5-10,19,22H,4,11-18H2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376815
PNG
(CHEMBL259563)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12
Show InChI InChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
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n/an/a 170n/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))
BDBM50376828
PNG
(CHEMBL260188)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(C)cc(OC)cc1C)c1cccc2ccccc12
Show InChI InChI=1S/C31H34N2O2/c1-6-33(27-15-9-12-22-11-7-8-13-24(22)27)28-16-10-14-25-31(28)29(35-5)19-26(32-25)30-20(2)17-23(34-4)18-21(30)3/h7-9,11-13,15,17-19,28H,6,10,14,16H2,1-5H3
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n/an/a 170n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292648
PNG
((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...)
Show SMILES COc1ccc(cc1C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1)S(O)(=O)=O
Show InChI InChI=1S/C24H27BrN2O6S/c1-33-21-7-6-19(34(30,31)32)14-20(21)24(11-8-22(28)26-23(24)29)17-9-12-27(13-10-17)15-16-2-4-18(25)5-3-16/h2-7,14,17H,8-13,15H2,1H3,(H,26,28,29)(H,30,31,32)
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376794
PNG
(CHEMBL261278)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2cc(OC)ccc12
Show InChI InChI=1S/C32H36N2O2/c1-6-21-11-8-12-22(7-2)31(21)27-20-30(36-5)32-26(33-27)14-10-16-29(32)34(3)28-15-9-13-23-19-24(35-4)17-18-25(23)28/h8-9,11-13,15,17-20,29H,6-7,10,14,16H2,1-5H3
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n/an/a 180n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292670
PNG
((+/-)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C2CC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H31BrN2O/c27-23-9-7-20(8-10-23)18-28-15-11-22(12-16-28)26(21-5-2-1-3-6-21)13-4-14-29(19-26)24-17-25(24)30/h1-3,5-10,22,24H,4,11-19H2
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n/an/a 180n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376795
PNG
(CHEMBL260176)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12
Show InChI InChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
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n/an/a 190n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292673
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES NS(=O)(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29)
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n/an/a 210n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376811
PNG
(CHEMBL259021)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2CCCCc12
Show InChI InChI=1S/C32H40N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h10-11,14-16,19,21,29H,5-9,12-13,17-18,20H2,1-4H3
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n/an/a 220n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292672
PNG
((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...)
Show SMILES NC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29)
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n/an/a 250n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376803
PNG
(CHEMBL262330)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
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n/an/a 270n/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
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