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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50038103   
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 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50371485
PNG
(CHEMBL403657)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(CF)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F5N4O3S/c1-3-42(40,41)13-12-37(26(39)15-20-6-11-24(31)23(14-20)29(32,33)34)18(2)28-36-27(21-7-8-21)25(16-30)38(28)22-9-4-19(17-35)5-10-22/h4-6,9-11,14,18,21H,3,7-8,12-13,15-16H2,1-2H3/t18-/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 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))
BDBM50371489
PNG
(CHEMBL401994)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C32H35N7O4S/c1-4-43-28-18-16-27(17-19-28)38-22-29(25-12-8-6-9-13-25)33-32(38)24(3)37(20-21-44(41,42)5-2)30(40)23-39-35-31(34-36-39)26-14-10-7-11-15-26/h6-19,22,24H,4-5,20-21,23H2,1-3H3/t24-/m1/s1
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n/an/a 9.40n/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))
BDBM50371506
PNG
(CHEMBL257908)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(CO)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30F4N4O4S/c1-3-42(40,41)13-12-36(26(39)15-20-6-11-24(30)23(14-20)29(31,32)33)18(2)28-35-27(21-7-8-21)25(17-38)37(28)22-9-4-19(16-34)5-10-22/h4-6,9-11,14,18,21,38H,3,7-8,12-13,15,17H2,1-2H3/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]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))
BDBM50371483
PNG
(CHEMBL272290)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C34H30F4N4O2/c1-3-44-28-14-12-27(13-15-28)42-22-31(26-9-5-4-6-10-26)40-33(42)23(2)41(21-25-8-7-17-39-20-25)32(43)19-24-11-16-30(35)29(18-24)34(36,37)38/h4-18,20,22-23H,3,19,21H2,1-2H3/t23-/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 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))
BDBM50371495
PNG
(CHEMBL403379)
Show SMILES CCOCCN([C@H](C)c1nc(cn1-c1ccc(OCC)cc1)-c1ccccc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C32H33F4N3O3/c1-4-41-18-17-38(30(40)20-23-11-16-28(33)27(19-23)32(34,35)36)22(3)31-37-29(24-9-7-6-8-10-24)21-39(31)25-12-14-26(15-13-25)42-5-2/h6-16,19,21-22H,4-5,17-18,20H2,1-3H3/t22-/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 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))
BDBM50371498
PNG
(CHEMBL401662)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C33H34F4N4O2/c1-3-43-27-14-12-26(13-15-27)41-21-30(24-8-5-4-6-9-24)39-32(41)22(2)40(20-25-10-7-17-38-25)31(42)19-23-11-16-29(34)28(18-23)33(35,36)37/h4-6,8-9,11-16,18,21-22,25,38H,3,7,10,17,19-20H2,1-2H3/t22-,25+/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 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))
BDBM50371505
PNG
(CHEMBL402989)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C(F)F)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N4O3S/c1-3-43(41,42)13-12-38(24(40)15-19-6-11-23(30)22(14-19)29(33,34)35)17(2)28-37-25(20-7-8-20)26(27(31)32)39(28)21-9-4-18(16-36)5-10-21/h4-6,9-11,14,17,20,27H,3,7-8,12-13,15H2,1-2H3/t17-/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 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))
BDBM50371497
PNG
(CHEMBL437401)
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 14n/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 14n/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))
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 16n/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))
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 18n/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))
BDBM50371505
PNG
(CHEMBL402989)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(C(F)F)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N4O3S/c1-3-43(41,42)13-12-38(24(40)15-19-6-11-23(30)22(14-19)29(33,34)35)17(2)28-37-25(20-7-8-20)26(27(31)32)39(28)21-9-4-18(16-36)5-10-21/h4-6,9-11,14,17,20,27H,3,7-8,12-13,15H2,1-2H3/t17-/m1/s1
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n/an/a 18n/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))
BDBM50371504
PNG
(CHEMBL403194)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(n1-c1ccc(cc1)C#N)C(F)(F)F)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F7N4O3S/c1-3-44(42,43)13-12-39(24(41)15-19-6-11-23(30)22(14-19)28(31,32)33)17(2)27-38-25(20-7-8-20)26(29(34,35)36)40(27)21-9-4-18(16-37)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 19n/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))
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 19n/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))
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 19n/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))
BDBM50371498
PNG
(CHEMBL401662)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C33H34F4N4O2/c1-3-43-27-14-12-26(13-15-27)41-21-30(24-8-5-4-6-9-24)39-32(41)22(2)40(20-25-10-7-17-38-25)31(42)19-23-11-16-29(34)28(18-23)33(35,36)37/h4-6,8-9,11-16,18,21-22,25,38H,3,7,10,17,19-20H2,1-2H3/t22-,25+/m1/s1
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n/an/a 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 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))
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 21n/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))
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 22n/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))
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 24n/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 24n/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))
BDBM50371485
PNG
(CHEMBL403657)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(CF)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F5N4O3S/c1-3-42(40,41)13-12-37(26(39)15-20-6-11-24(31)23(14-20)29(32,33)34)18(2)28-36-27(21-7-8-21)25(16-30)38(28)22-9-4-19(17-35)5-10-22/h4-6,9-11,14,18,21H,3,7-8,12-13,15-16H2,1-2H3/t18-/m1/s1
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n/an/a 28n/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))
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 29n/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))
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 31n/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))
BDBM50371506
PNG
(CHEMBL257908)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(CO)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H30F4N4O4S/c1-3-42(40,41)13-12-36(26(39)15-20-6-11-24(30)23(14-20)29(31,32)33)18(2)28-35-27(21-7-8-21)25(17-38)37(28)22-9-4-19(16-34)5-10-22/h4-6,9-11,14,18,21,38H,3,7-8,12-13,15,17H2,1-2H3/t18-/m1/s1
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n/an/a 33n/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))
BDBM50371501
PNG
(CHEMBL272919)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(Cc1ccncc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C34H30F4N4O2/c1-3-44-28-12-10-27(11-13-28)42-22-31(26-7-5-4-6-8-26)40-33(42)23(2)41(21-24-15-17-39-18-16-24)32(43)20-25-9-14-30(35)29(19-25)34(36,37)38/h4-19,22-23H,3,20-21H2,1-2H3/t23-/m1/s1
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n/an/a 35n/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))
BDBM50371499
PNG
(CHEMBL256071)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C33H34F4N4O2/c1-3-43-27-14-12-26(13-15-27)41-21-30(24-8-5-4-6-9-24)39-32(41)22(2)40(20-25-10-7-17-38-25)31(42)19-23-11-16-29(34)28(18-23)33(35,36)37/h4-6,8-9,11-16,18,21-22,25,38H,3,7,10,17,19-20H2,1-2H3/t22-,25-/m1/s1
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n/an/a 36n/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))
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 37n/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))
BDBM50371512
PNG
(CHEMBL404841)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1ccc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C29H32F3N5O4S/c1-4-41-24-13-11-23(12-14-24)37-19-25(22-9-7-6-8-10-22)33-28(37)21(3)36(17-18-42(39,40)5-2)27(38)20-35-16-15-26(34-35)29(30,31)32/h6-16,19,21H,4-5,17-18,20H2,1-3H3/t21-/m1/s1
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n/an/a 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))
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 43n/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))
BDBM50371488
PNG
(CHEMBL269981)
Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)C1CC1)-c1ccccc1
Show InChI InChI=1S/C29H35N7O4S/c1-4-40-25-15-13-24(14-16-25)35-19-26(22-9-7-6-8-10-22)30-29(35)21(3)34(17-18-41(38,39)5-2)27(37)20-36-32-28(31-33-36)23-11-12-23/h6-10,13-16,19,21,23H,4-5,11-12,17-18,20H2,1-3H3/t21-/m1/s1
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n/an/a 44n/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
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