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Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'collins' and Initial = 'tl'   
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))
BDBM50229378
PNG
((R)-N-(1-(3-(4-cyanophenyl)H-imidazo[1,2-a]pyridin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O3S/c1-3-41(39,40)15-14-36(26(38)17-21-9-12-24(30)23(16-21)29(31,32)33)19(2)27-28(22-10-7-20(18-34)8-11-22)37-13-5-4-6-25(37)35-27/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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3n/an/an/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))
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))
BDBM50229381
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinolin-2-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H27F4N3O3S/c1-3-42(40,41)15-14-38(29(39)17-22-10-13-27(32)26(16-22)31(33,34)35)20(2)30-25(23-11-8-21(19-36)9-12-23)18-24-6-4-5-7-28(24)37-30/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
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n/an/a 0.800n/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))
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))
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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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))
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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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))
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))
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))
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))
BDBM50229377
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-4H-pyrido[1,2-a]...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccn2c(=O)c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O4S/c1-3-43(41,42)15-14-37(26(39)17-21-9-12-24(31)23(16-21)30(32,33)34)19(2)28-27(22-10-7-20(18-35)8-11-22)29(40)38-13-5-4-6-25(38)36-28/h4-13,16,19H,3,14-15,17H2,1-2H3/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]-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))
BDBM50229383
PNG
((R)-N-(1-(3-(4-cyanophenyl)-1,8-naphthyridin-2-yl)...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2cc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)14-13-38(27(39)16-21-8-11-26(31)25(15-21)30(32,33)34)19(2)28-24(22-9-6-20(18-35)7-10-22)17-23-5-4-12-36-29(23)37-28/h4-12,15,17,19H,3,13-14,16H2,1-2H3/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]-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))
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50018896
PNG
(CHEMBL3287089)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2NC(=O)Cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2N2O7S/c1-33-19-8-12(9-22(29)30)2-5-17(19)34-18-6-4-16-14(11-21(28)26-16)23(18)27-35(31,32)20-7-3-13(24)10-15(20)25/h2-8,10,27H,9,11H2,1H3,(H,26,28)(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363935
PNG
(CHEMBL1951562)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O6S/c1-3-4-11-29-26(33)18-6-9-23(36-22-8-5-17(12-16(22)2)13-25(31)32)21(14-18)30-37(34,35)24-10-7-19(27)15-20(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363928
PNG
(CHEMBL1951575)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting


Bioorg Med Chem Lett 24: 2877-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.092
BindingDB Entry DOI: 10.7270/Q25X2BGN
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363923
PNG
(CHEMBL1951570)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F)C(=O)NC1CCC1
Show InChI InChI=1S/C27H24ClF3N2O7S/c1-39-23-11-15(12-25(34)35)5-8-22(23)40-21-9-6-16(26(36)32-18-3-2-4-18)13-20(21)33-41(37,38)24-10-7-17(14-19(24)28)27(29,30)31/h5-11,13-14,18,33H,2-4,12H2,1H3,(H,32,36)(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363917
PNG
(CHEMBL1951566)
Show SMILES CCCCNC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2F2N2O6S/c1-2-3-8-30-25(34)14-4-6-21(37-22-13-18(28)15(9-19(22)29)11-24(32)33)20(10-14)31-38(35,36)23-7-5-16(26)12-17(23)27/h4-7,9-10,12-13,31H,2-3,8,11H2,1H3,(H,30,34)(H,32,33)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302832
PNG
(2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363934
PNG
(CHEMBL1951561)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C27H26ClF3N2O7S/c1-3-4-11-32-26(36)17-6-9-21(40-22-8-5-16(13-25(34)35)12-23(22)39-2)20(14-17)33-41(37,38)24-10-7-18(15-19(24)28)27(29,30)31/h5-10,12,14-15,33H,3-4,11,13H2,1-2H3,(H,32,36)(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50360671
PNG
(CHEMBL1933766)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50363928
PNG
(CHEMBL1951575)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229380
PNG
((R)-N-(1-(3-(4-cyanophenyl)-8-methyl-4-oxo-3,4,5,6...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2N(C)CCCc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F4N5O4S/c1-4-44(42,43)15-14-38(26(40)17-21-9-12-25(31)24(16-21)30(32,33)34)19(2)27-36-28-23(6-5-13-37(28)3)29(41)39(27)22-10-7-20(18-35)8-11-22/h7-12,16,19H,4-6,13-15,17H2,1-3H3/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]-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))
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))
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))
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363922
PNG
(CHEMBL1951569)
Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H23Cl3N2O6S/c1-25(2,3)29-24(33)15-5-8-21(36-20-7-4-14(10-17(20)27)11-23(31)32)19(12-15)30-37(34,35)22-9-6-16(26)13-18(22)28/h4-10,12-13,30H,11H2,1-3H3,(H,29,33)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50363929
PNG
(CHEMBL1951556)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
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