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Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'ebsworth' and Initial = 'k'   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371494
PNG
(CHEMBL256589)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C32H33F4N3O4S/c1-4-43-26-14-12-25(13-15-26)39-21-29(24-9-7-6-8-10-24)37-31(39)22(3)38(17-18-44(41,42)5-2)30(40)20-23-11-16-28(33)27(19-23)32(34,35)36/h6-16,19,21-22H,4-5,17-18,20H2,1-3H3/t22-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229439
PNG
((R)-N-(1-(1-(4-cyanophenyl)-4-phenyl-1H-imidazol-2...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1ccccc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H28F4N4O3S/c1-3-43(41,42)16-15-38(29(40)18-23-11-14-27(32)26(17-23)31(33,34)35)21(2)30-37-28(24-7-5-4-6-8-24)20-39(30)25-12-9-22(19-36)10-13-25/h4-14,17,20-21H,3,15-16,18H2,1-2H3/t21-/m1/s1
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n/an/a 0.700n/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))
BDBM50229439
PNG
((R)-N-(1-(1-(4-cyanophenyl)-4-phenyl-1H-imidazol-2...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1ccccc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H28F4N4O3S/c1-3-43(41,42)16-15-38(29(40)18-23-11-14-27(32)26(17-23)31(33,34)35)21(2)30-37-28(24-7-5-4-6-8-24)20-39(30)25-12-9-22(19-36)10-13-25/h4-14,17,20-21H,3,15-16,18H2,1-2H3/t21-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 0.900n/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))
BDBM50300899
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-cyclopropylimidazo[1...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H29F4N5O3S/c1-3-44(42,43)15-14-39(26(41)17-21-6-11-24(25(32)16-21)31(33,34)35)19(2)27-29(23-7-4-20(18-36)5-8-23)40-13-12-37-28(22-9-10-22)30(40)38-27/h4-8,11-13,16,19,22H,3,9-10,14-15,17H2,1-2H3/t19-/m1/s1
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n/an/a 0.900n/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))
BDBM50300900
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(OC)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O4S/c1-4-43(40,41)14-13-37(24(39)16-20-7-10-22(23(30)15-20)29(31,32)33)18(2)25-26(21-8-5-19(17-34)6-9-21)38-12-11-35-28(42-3)27(38)36-25/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))
BDBM50300907
PNG
(CHEMBL576097 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-27(34)26(16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 0.900n/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))
BDBM50229462
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H28F4N4O3/c1-3-44-25-13-11-24(12-14-25)41-31(39-29-9-5-4-8-26(29)32(41)43)21(2)40(20-23-7-6-16-38-19-23)30(42)18-22-10-15-28(34)27(17-22)33(35,36)37/h4-17,19,21H,3,18,20H2,1-2H3/t21-/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]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300902
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...)
Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1
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n/an/a 1.10n/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))
BDBM50300909
PNG
(CHEMBL576099 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-46(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)45-33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/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))
BDBM50300906
PNG
(CHEMBL576096 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-46(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)45-33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1
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n/an/a 1.10n/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))
BDBM50300898
PNG
(CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1
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n/an/a 1.30n/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))
BDBM50300903
PNG
(CHEMBL570857 | rac-N-(1-(3-(4-cyanophenyl)-8-(dime...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(nccn2c1-c1ccc(cc1)C#N)N(C)C)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N6O3S/c1-5-44(42,43)15-14-39(25(41)17-21-8-11-23(24(31)16-21)30(32,33)34)19(2)26-27(22-9-6-20(18-35)7-10-22)40-13-12-36-28(38(3)4)29(40)37-26/h6-13,16,19H,5,14-15,17H2,1-4H3
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n/an/a 1.40n/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))
BDBM50300901
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methylimidazo[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(C)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O3S/c1-4-42(40,41)14-13-37(25(39)16-21-7-10-23(24(30)15-21)29(31,32)33)19(3)26-27(22-8-5-20(17-34)6-9-22)38-12-11-35-18(2)28(38)36-26/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-/m1/s1
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n/an/a 1.60n/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))
BDBM50300908
PNG
(CHEMBL576098 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-45(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 1.70n/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))
BDBM50371490
PNG
(CHEMBL269932)
Show SMILES CCOc1ccc(cc1)-n1ccnc1[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H26F4N4O2/c1-3-38-23-9-7-22(8-10-23)35-14-13-34-27(35)19(2)36(18-21-5-4-12-33-17-21)26(37)16-20-6-11-25(29)24(15-20)28(30,31)32/h4-15,17,19H,3,16,18H2,1-2H3/t19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300914
PNG
((R)-N-(1-(3-(4-cyanophenyl)-7-methylimidazo[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(C)ccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O3S/c1-4-42(40,41)14-13-37(25(39)16-21-7-10-24(30)23(15-21)29(31,32)33)19(3)26-27(22-8-5-20(17-34)6-9-22)38-12-11-18(2)35-28(38)36-26/h5-12,15,19H,4,13-14,16H2,1-3H3/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]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))
BDBM50300900
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(OC)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O4S/c1-4-43(40,41)14-13-37(24(39)16-20-7-10-22(23(30)15-20)29(31,32)33)18(2)25-26(21-8-5-19(17-34)6-9-21)38-12-11-35-28(42-3)27(38)36-25/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/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]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))
BDBM50371513
PNG
(CHEMBL402375)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)-c1ccc(cc1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C33H34F3N7O4S/c1-4-47-28-17-15-27(16-18-28)42-21-29(24-9-7-6-8-10-24)37-32(42)23(3)41(19-20-48(45,46)5-2)30(44)22-43-39-31(38-40-43)25-11-13-26(14-12-25)33(34,35)36/h6-18,21,23H,4-5,19-20,22H2,1-3H3/t23-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371511
PNG
(CHEMBL272720)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O3S/c1-3-43(41,42)14-13-38(28(40)16-22-8-11-26(31)25(15-22)30(32,33)34)20(2)29-37-27(23-5-4-12-36-18-23)19-39(29)24-9-6-21(17-35)7-10-24/h4-12,15,18-20H,3,13-14,16H2,1-2H3/t20-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371493
PNG
(CHEMBL257209)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C33H35F4N3O4S/c1-4-44-27-15-13-26(14-16-27)40-22-30(25-10-7-6-8-11-25)38-32(40)23(3)39(18-9-19-45(42,43)5-2)31(41)21-24-12-17-29(34)28(20-24)33(35,36)37/h6-8,10-17,20,22-23H,4-5,9,18-19,21H2,1-3H3/t23-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371508
PNG
(CHEMBL271423)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C(C)(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H32F4N4O3S/c1-6-41(39,40)14-13-36(26(38)16-21-9-12-24(30)23(15-21)29(31,32)33)19(2)27-35-25(28(3,4)5)18-37(27)22-10-7-20(17-34)8-11-22/h7-12,15,18-19H,6,13-14,16H2,1-5H3/t19-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371509
PNG
(CHEMBL403491)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C(C)C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30F4N4O3S/c1-5-40(38,39)13-12-35(26(37)15-21-8-11-24(29)23(14-21)28(30,31)32)19(4)27-34-25(18(2)3)17-36(27)22-9-6-20(16-33)7-10-22/h6-11,14,17-19H,5,12-13,15H2,1-4H3/t19-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
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 |r|
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))
BDBM50300915
PNG
(CHEMBL577972 | rac-N-(1-(8-chloro-3-(4-cyanophenyl...)
Show SMILES CCS(=O)(=O)CCN(C(C)c1nc2c(Cl)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C28H24ClF4N5O3S/c1-3-42(40,41)13-12-37(23(39)15-19-6-9-21(22(30)14-19)28(31,32)33)17(2)24-25(20-7-4-18(16-34)5-8-20)38-11-10-35-26(29)27(38)36-24/h4-11,14,17H,3,12-13,15H2,1-2H3
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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))
BDBM50371507
PNG
(CHEMBL437598)
Show SMILES CCc1c(nc([C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc2ccc(F)c(c2)C(F)(F)F)n1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C30H32F4N4O3S/c1-4-26-28(22-9-10-22)36-29(38(26)23-11-6-20(18-35)7-12-23)19(3)37(14-15-42(40,41)5-2)27(39)17-21-8-13-25(31)24(16-21)30(32,33)34/h6-8,11-13,16,19,22H,4-5,9-10,14-15,17H2,1-3H3/t19-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371486
PNG
(CHEMBL403254)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C=C)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O3S/c1-4-26-28(22-9-10-22)36-29(38(26)23-11-6-20(18-35)7-12-23)19(3)37(14-15-42(40,41)5-2)27(39)17-21-8-13-25(31)24(16-21)30(32,33)34/h4,6-8,11-13,16,19,22H,1,5,9-10,14-15,17H2,2-3H3/t19-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211148
PNG
((R)-N-(1-(4-oxo-3-(4-(prop-1-ynyl)phenyl)-3,4-dihy...)
Show SMILES CC#Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H27F3N4O2/c1-3-7-24-13-17-28(18-14-24)41-32(39-30-10-5-4-9-29(30)33(41)43)23(2)40(22-26-8-6-19-38-21-26)31(42)20-25-11-15-27(16-12-25)34(35,36)37/h4-6,8-19,21,23H,20,22H2,1-2H3/t23-/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 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
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 |r|
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))
BDBM50371487
PNG
(CHEMBL270821)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)-c1ccccn1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F4N5O3S/c1-3-43(41,42)15-14-38(28(40)17-22-9-12-25(31)24(16-22)30(32,33)34)20(2)29-37-27(26-6-4-5-13-36-26)19-39(29)23-10-7-21(18-35)8-11-23/h4-13,16,19-20H,3,14-15,17H2,1-2H3/t20-/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 human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
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 |r|
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 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))
BDBM50371494
PNG
(CHEMBL256589)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C32H33F4N3O4S/c1-4-43-26-14-12-25(13-15-26)39-21-29(24-9-7-6-8-10-24)37-31(39)22(3)38(17-18-44(41,42)5-2)30(40)20-23-11-16-28(33)27(19-23)32(34,35)36/h6-16,19,21-22H,4-5,17-18,20H2,1-3H3/t22-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC in presence of plasma


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371491
PNG
(CHEMBL403086)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1cnc(c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C34H37N5O4S/c1-4-43-30-18-16-29(17-19-30)39-23-32(28-14-10-7-11-15-28)36-34(39)26(3)38(20-21-44(41,42)5-2)33(40)24-37-22-31(35-25-37)27-12-8-6-9-13-27/h6-19,22-23,25-26H,4-5,20-21,24H2,1-3H3/t26-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/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 at human CXCR3 assessed as inhibition of ITAC-induced calcium mobilization


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371514
PNG
(CHEMBL401995)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C32H34FN7O4S/c1-4-44-28-17-15-27(16-18-28)39-21-29(24-9-7-6-8-10-24)34-32(39)23(3)38(19-20-45(42,43)5-2)30(41)22-40-36-31(35-37-40)25-11-13-26(33)14-12-25/h6-18,21,23H,4-5,19-20,22H2,1-3H3/t23-/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]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371515
PNG
(CHEMBL271250)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1cc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H36N6O4S/c1-4-43-29-18-16-28(17-19-29)39-23-30(26-12-8-6-9-13-26)34-33(39)25(3)38(20-21-44(41,42)5-2)32(40)24-37-22-31(35-36-37)27-14-10-7-11-15-27/h6-19,22-23,25H,4-5,20-21,24H2,1-3H3/t25-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211138
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C33H29F3N4O3/c1-3-43-27-16-14-26(15-17-27)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-12-25(13-11-23)33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/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 ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211130
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/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 ]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300900
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(OC)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O4S/c1-4-43(40,41)14-13-37(24(39)16-20-7-10-22(23(30)15-20)29(31,32)33)18(2)25-26(21-8-5-19(17-34)6-9-21)38-12-11-35-28(42-3)27(38)36-25/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/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]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))
BDBM50371496
PNG
(CHEMBL403378)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@@H]1CCCN1C)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C34H36F4N4O2/c1-4-44-28-15-13-26(14-16-28)42-22-31(25-9-6-5-7-10-25)39-33(42)23(2)41(21-27-11-8-18-40(27)3)32(43)20-24-12-17-30(35)29(19-24)34(36,37)38/h5-7,9-10,12-17,19,22-23,27H,4,8,11,18,20-21H2,1-3H3/t23-,27+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371510
PNG
(CHEMBL270591)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(cn1-c1ccc(cc1)C#N)C1CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F4N4O3S/c1-3-40(38,39)13-12-35(26(37)15-20-6-11-24(29)23(14-20)28(30,31)32)18(2)27-34-25(21-7-8-21)17-36(27)22-9-4-19(16-33)5-10-22/h4-6,9-11,14,17-18,21H,3,7-8,12-13,15H2,1-2H3/t18-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
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 |r|
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))
BDBM50211137
PNG
((R)-N-(1-(3-(4-nitrophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H24F3N5O4/c1-20(29-36-27-7-3-2-6-26(27)30(41)38(29)24-12-14-25(15-13-24)39(42)43)37(19-22-5-4-16-35-18-22)28(40)17-21-8-10-23(11-9-21)31(32,33)34/h2-16,18,20H,17,19H2,1H3/t20-/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


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300900
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2c(OC)nccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N5O4S/c1-4-43(40,41)14-13-37(24(39)16-20-7-10-22(23(30)15-20)29(31,32)33)18(2)25-26(21-8-5-19(17-34)6-9-21)38-12-11-35-28(42-3)27(38)36-25/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
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))
BDBM50371492
PNG
(CHEMBL256585)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(OC(F)(F)F)cc1)-c1ccccc1
Show InChI InChI=1S/C32H34F3N3O5S/c1-4-42-27-17-13-26(14-18-27)38-22-29(25-9-7-6-8-10-25)36-31(38)23(3)37(19-20-44(40,41)5-2)30(39)21-24-11-15-28(16-12-24)43-32(33,34)35/h6-18,22-23H,4-5,19-21H2,1-3H3/t23-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r|
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 7.30n/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))
BDBM50371484
PNG
(CHEMBL404261)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(Cl)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF4N4O3S/c1-3-41(39,40)13-12-36(24(38)15-19-6-11-23(30)22(14-19)28(31,32)33)17(2)27-35-25(20-7-8-20)26(29)37(27)21-9-4-18(16-34)5-10-21/h4-6,9-11,14,17,20H,3,7-8,12-13,15H2,1-2H3/t17-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC


Bioorg Med Chem Lett 18: 608-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.072
BindingDB Entry DOI: 10.7270/Q2668F1D
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IP10-induced CXCR3 mediated cell migration


Bioorg Med Chem Lett 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8n/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 17: 3339-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8n/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
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