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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50021913   
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))
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))
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))
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))
BDBM50229384
PNG
((R)-N-(1-(2-(4-cyanophenyl)quinolin-3-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1cc2ccccc2nc1-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)25-18-24-6-4-5-7-28(24)37-30(25)23-11-8-21(19-36)9-12-23/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-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))
BDBM50229379
PNG
((R)-N-(1-(1-(4-cyanophenyl)-1H-benzo[d]imidazol-2-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2n1-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(27(38)17-21-10-13-24(30)23(16-21)29(31,32)33)19(2)28-35-25-6-4-5-7-26(25)37(28)22-11-8-20(18-34)9-12-22/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/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]-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))
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]-IP-10 from CXCR3 receptor


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))
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
Antagonist activity at CXCR3 assessed as IP-10-mediated cell migration


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))
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 8.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ITAC from CXCR3 receptor


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))
BDBM50229385
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinoxalin-2-yl)ethyl)-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2nc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)15-14-38(27(39)17-21-10-13-24(31)23(16-21)30(32,33)34)19(2)28-29(22-11-8-20(18-35)9-12-22)37-26-7-5-4-6-25(26)36-28/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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n/an/a 9n/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))
BDBM50229382
PNG
((R)-N-(1-(3-(4-cyanophenyl)imidazo[1,2-a]pyrimidin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O3S/c1-3-41(39,40)14-13-36(24(38)16-20-7-10-23(29)22(15-20)28(30,31)32)18(2)25-26(21-8-5-19(17-33)6-9-21)37-12-4-11-34-27(37)35-25/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


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



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as ITAC-mediated cell migration


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))
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 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229386
PNG
((R)-N-(1-(3-(4-cyanophenyl)H-pyrazolo[1,5-a]pyridi...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nn2ccccc2c1-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)28-27(22-10-7-20(18-34)8-11-22)25-6-4-5-13-37(25)35-28/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/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]-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))
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 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


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



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 27n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229379
PNG
((R)-N-(1-(1-(4-cyanophenyl)-1H-benzo[d]imidazol-2-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2n1-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(27(38)17-21-10-13-24(30)23(16-21)29(31,32)33)19(2)28-35-25-6-4-5-7-26(25)37(28)22-11-8-20(18-34)9-12-22/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/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]-IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma


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


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


(Homo sapiens (Human))
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 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR3 assessed as MIG-mediated cell migration


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))
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 41n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
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 48n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
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 60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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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n/an/a 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
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 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229382
PNG
((R)-N-(1-(3-(4-cyanophenyl)imidazo[1,2-a]pyrimidin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O3S/c1-3-41(39,40)14-13-36(24(38)16-20-7-10-23(29)22(15-20)28(30,31)32)18(2)25-26(21-8-5-19(17-33)6-9-21)37-12-4-11-34-27(37)35-25/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 88n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229384
PNG
((R)-N-(1-(2-(4-cyanophenyl)quinolin-3-yl)ethyl)-N-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1cc2ccccc2nc1-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)25-18-24-6-4-5-7-28(24)37-30(25)23-11-8-21(19-36)9-12-23/h4-13,16,18,20H,3,14-15,17H2,1-2H3/t20-/m1/s1
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n/an/a 115n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


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



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229385
PNG
((R)-N-(1-(3-(4-cyanophenyl)quinoxalin-2-yl)ethyl)-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2nc1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O3S/c1-3-42(40,41)15-14-38(27(39)17-21-10-13-24(31)23(16-21)30(32,33)34)19(2)28-29(22-11-8-20(18-35)9-12-22)37-26-7-5-4-6-25(26)36-28/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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n/an/a 121n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229379
PNG
((R)-N-(1-(1-(4-cyanophenyl)-1H-benzo[d]imidazol-2-...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccc2n1-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(27(38)17-21-10-13-24(30)23(16-21)29(31,32)33)19(2)28-35-25-6-4-5-7-26(25)37(28)22-11-8-20(18-34)9-12-22/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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n/an/a 521n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229386
PNG
((R)-N-(1-(3-(4-cyanophenyl)H-pyrazolo[1,5-a]pyridi...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nn2ccccc2c1-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)28-27(22-10-7-20(18-34)8-11-22)25-6-4-5-13-37(25)35-28/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 523n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50229382
PNG
((R)-N-(1-(3-(4-cyanophenyl)imidazo[1,2-a]pyrimidin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O3S/c1-3-41(39,40)14-13-36(24(38)16-20-7-10-23(29)22(15-20)28(30,31)32)18(2)25-26(21-8-5-19(17-33)6-9-21)37-12-4-11-34-27(37)35-25/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 643n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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