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25 similar compounds to monomer 50310487

Compile data set for download or QSAR
Wt: 615.5
BDBM50229376
Wt: 639.6
BDBM50310479
Wt: 639.6
BDBM50310480
Wt: 597.6
BDBM50310481
Wt: 625.6
BDBM50310482
Wt: 639.6
BDBM50310483
Wt: 639.6
BDBM50310484
Wt: 598.5
BDBM50310485
Wt: 634.6
BDBM50310486
Wt: 605.5
BDBM50310502
Purchase
Wt: 609.5
BDBM50310506
Wt: 629.6
BDBM50300910
Wt: 645.6
BDBM50300911
Wt: 615.5
BDBM50300912
Wt: 645.6
BDBM50300913
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50229376,50310479,50310480,50310481,50310482,50310483,50310484,50310485,50310486,50310502,50310506,50300910,50300911,50300912,50300913   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310502
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells


J Med Chem 55: 10572-83 (2012)


Article DOI: 10.1021/jm301240t
BindingDB Entry DOI: 10.7270/Q27P90J8
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300910
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methyl-4-oxo-3,4-dih...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(C)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O4S/c1-4-44(42,43)14-13-38(26(40)16-21-8-12-25(31)24(15-21)30(32,33)34)19(3)28-37-27-23(11-5-18(2)36-27)29(41)39(28)22-9-6-20(17-35)7-10-22/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300911
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 129n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300913
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-23(24(31)15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300910
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methyl-4-oxo-3,4-dih...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(C)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O4S/c1-4-44(42,43)14-13-38(26(40)16-21-8-12-25(31)24(15-21)30(32,33)34)19(3)28-37-27-23(11-5-18(2)36-27)29(41)39(28)22-9-6-20(17-35)7-10-22/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300911
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300913
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-23(24(31)15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300910
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methyl-4-oxo-3,4-dih...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(C)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O4S/c1-4-44(42,43)14-13-38(26(40)16-21-8-12-25(31)24(15-21)30(32,33)34)19(3)28-37-27-23(11-5-18(2)36-27)29(41)39(28)22-9-6-20(17-35)7-10-22/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300911
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300913
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-23(24(31)15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310479
PNG
(CHEMBL1077824 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@H]1CCCN1C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-13-11-24(12-14-26)43-32(40-31-27(33(43)45)9-6-16-39-31)22(4)42(20-25-8-7-17-41(25)21(2)3)30(44)19-23-10-15-29(35)28(18-23)34(36,37)38/h6,9-16,18,21-22,25H,5,7-8,17,19-20H2,1-4H3/t22-,25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310480
PNG
(CHEMBL1077825 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@@H]1CCCN1C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-13-11-24(12-14-26)43-32(40-31-27(33(43)45)9-6-16-39-31)22(4)42(20-25-8-7-17-41(25)21(2)3)30(44)19-23-10-15-29(35)28(18-23)34(36,37)38/h6,9-16,18,21-22,25H,5,7-8,17,19-20H2,1-4H3/t22-,25+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310480
PNG
(CHEMBL1077825 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@@H]1CCCN1C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-13-11-24(12-14-26)43-32(40-31-27(33(43)45)9-6-16-39-31)22(4)42(20-25-8-7-17-41(25)21(2)3)30(44)19-23-10-15-29(35)28(18-23)34(36,37)38/h6,9-16,18,21-22,25H,5,7-8,17,19-20H2,1-4H3/t22-,25+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310481
PNG
(CHEMBL1077826 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F4N5O3/c1-3-43-23-11-9-22(10-12-23)40-29(38-28-24(30(40)42)7-5-15-37-28)19(2)39(18-21-6-4-14-36-21)27(41)17-20-8-13-26(32)25(16-20)31(33,34)35/h5,7-13,15-16,19,21,36H,3-4,6,14,17-18H2,1-2H3/t19-,21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310481
PNG
(CHEMBL1077826 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F4N5O3/c1-3-43-23-11-9-22(10-12-23)40-29(38-28-24(30(40)42)7-5-15-37-28)19(2)39(18-21-6-4-14-36-21)27(41)17-20-8-13-26(32)25(16-20)31(33,34)35/h5,7-13,15-16,19,21,36H,3-4,6,14,17-18H2,1-2H3/t19-,21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310482
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(CC1CCN(C)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H35F4N5O3/c1-4-45-25-10-8-24(9-11-25)42-31(39-30-26(32(42)44)6-5-15-38-30)21(2)41(20-22-13-16-40(3)17-14-22)29(43)19-23-7-12-28(34)27(18-23)33(35,36)37/h5-12,15,18,21-22H,4,13-14,16-17,19-20H2,1-3H3/t21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310482
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(CC1CCN(C)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H35F4N5O3/c1-4-45-25-10-8-24(9-11-25)42-31(39-30-26(32(42)44)6-5-15-38-30)21(2)41(20-22-13-16-40(3)17-14-22)29(43)19-23-7-12-28(34)27(18-23)33(35,36)37/h5-12,15,18,21-22H,4,13-14,16-17,19-20H2,1-3H3/t21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310483
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCN(CC1)C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-11-9-24(10-12-26)43-32(40-31-27(33(43)45)7-6-16-39-31)22(4)42(25-14-17-41(18-15-25)21(2)3)30(44)20-23-8-13-29(35)28(19-23)34(36,37)38/h6-13,16,19,21-22,25H,5,14-15,17-18,20H2,1-4H3/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310483
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCN(CC1)C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-11-9-24(10-12-26)43-32(40-31-27(33(43)45)7-6-16-39-31)22(4)42(25-14-17-41(18-15-25)21(2)3)30(44)20-23-8-13-29(35)28(19-23)34(36,37)38/h6-13,16,19,21-22,25H,5,14-15,17-18,20H2,1-4H3/t22-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310484
PNG
((R)-N-(1-acetylpiperidin-4-yl)-N-(1-(3-(4-ethoxyph...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCN(CC1)C(C)=O)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H33F4N5O4/c1-4-46-25-10-8-23(9-11-25)42-31(39-30-26(32(42)45)6-5-15-38-30)20(2)41(24-13-16-40(17-14-24)21(3)43)29(44)19-22-7-12-28(34)27(18-22)33(35,36)37/h5-12,15,18,20,24H,4,13-14,16-17,19H2,1-3H3/t20-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310484
PNG
((R)-N-(1-acetylpiperidin-4-yl)-N-(1-(3-(4-ethoxyph...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCN(CC1)C(C)=O)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H33F4N5O4/c1-4-46-25-10-8-23(9-11-25)42-31(39-30-26(32(42)45)6-5-15-38-30)20(2)41(24-13-16-40(17-14-24)21(3)43)29(44)19-22-7-12-28(34)27(18-22)33(35,36)37/h5-12,15,18,20,24H,4,13-14,16-17,19H2,1-3H3/t20-/m1/s1
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n/an/a 131n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310485
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCOCC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F4N4O4/c1-3-43-23-9-7-21(8-10-23)39-29(37-28-24(30(39)41)5-4-14-36-28)19(2)38(22-12-15-42-16-13-22)27(40)18-20-6-11-26(32)25(17-20)31(33,34)35/h4-11,14,17,19,22H,3,12-13,15-16,18H2,1-2H3/t19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310485
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C1CCOCC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F4N4O4/c1-3-43-23-9-7-21(8-10-23)39-29(37-28-24(30(39)41)5-4-14-36-28)19(2)38(22-12-15-42-16-13-22)27(40)18-20-6-11-26(32)25(17-20)31(33,34)35/h4-11,14,17,19,22H,3,12-13,15-16,18H2,1-2H3/t19-/m1/s1
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n/an/a 162n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310486
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O5S/c1-4-43-22-11-9-21(10-12-22)38-28(36-27-23(29(38)40)7-6-14-35-27)19(3)37(15-16-44(41,42)5-2)26(39)18-20-8-13-25(31)24(17-20)30(32,33)34/h6-14,17,19H,4-5,15-16,18H2,1-3H3/t19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310486
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O5S/c1-4-43-22-11-9-21(10-12-22)38-28(36-27-23(29(38)40)7-6-14-35-27)19(3)37(15-16-44(41,42)5-2)26(39)18-20-8-13-25(31)24(17-20)30(32,33)34/h6-14,17,19H,4-5,15-16,18H2,1-3H3/t19-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310502
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310502
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310506
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cc(C)no1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N5O4/c1-4-43-22-10-8-21(9-11-22)40-29(37-28-24(30(40)42)6-5-13-36-28)19(3)39(17-23-14-18(2)38-44-23)27(41)16-20-7-12-26(32)25(15-20)31(33,34)35/h5-15,19H,4,16-17H2,1-3H3/t19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310506
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cc(C)no1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N5O4/c1-4-43-22-10-8-21(9-11-22)40-29(37-28-24(30(40)42)6-5-13-36-28)19(3)39(17-23-14-18(2)38-44-23)27(41)16-20-7-12-26(32)25(15-20)31(33,34)35/h5-15,19H,4,16-17H2,1-3H3/t19-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50310479
PNG
(CHEMBL1077824 | N-((R)-1-(3-(4-ethoxyphenyl)-4-oxo...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(C[C@H]1CCCN1C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C34H37F4N5O3/c1-5-46-26-13-11-24(12-14-26)43-32(40-31-27(33(43)45)9-6-16-39-31)22(4)42(20-25-8-7-17-41(25)21(2)3)30(44)19-23-10-15-29(35)28(18-23)34(36,37)38/h6,9-16,18,21-22,25H,5,7-8,17,19-20H2,1-4H3/t22-,25-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma


Bioorg Med Chem Lett 19: 5114-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.032
BindingDB Entry DOI: 10.7270/Q2FX79KZ
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as inhibition of ITAC-mediated cell migration in presence of 100% human serum


Bioorg Med Chem Lett 22: 357-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.120
BindingDB Entry DOI: 10.7270/Q2S75GS5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serum


Bioorg Med Chem Lett 22: 357-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.120
BindingDB Entry DOI: 10.7270/Q2S75GS5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serum


Bioorg Med Chem Lett 22: 357-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.120
BindingDB Entry DOI: 10.7270/Q2S75GS5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300912
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-23(24(30)15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3


Bioorg Med Chem Lett 22: 357-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.120
BindingDB Entry DOI: 10.7270/Q2S75GS5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3


Bioorg Med Chem Lett 22: 357-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.120
BindingDB Entry DOI: 10.7270/Q2S75GS5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229376
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as ITAC-mediated migration of human PBMC in presence of 100% human plasma


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair