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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50037911   
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))
BDBM50211148
PNG
((R)-N-(1-(4-oxo-3-(4-(prop-1-ynyl)phenyl)-3,4-dihy...)
Show SMILES CC#Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H27F3N4O2/c1-3-7-24-13-17-28(18-14-24)41-32(39-30-10-5-4-9-29(30)33(41)43)23(2)40(22-26-8-6-19-38-21-26)31(42)20-25-11-15-27(16-12-25)34(35,36)37/h4-6,8-19,21,23H,20,22H2,1-2H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 assessed as inhibition of ITAC-induced calcium mobilization


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


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


(Homo sapiens (Human))
BDBM50211138
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C33H29F3N4O3/c1-3-43-27-16-14-26(15-17-27)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-12-25(13-11-23)33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211130
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H29F3N4O4/c1-3-43-26-16-12-25(13-17-26)40-31(38-29-9-5-4-8-28(29)32(40)42)22(2)39(21-24-7-6-18-37-20-24)30(41)19-23-10-14-27(15-11-23)44-33(34,35)36/h4-18,20,22H,3,19,21H2,1-2H3/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211137
PNG
((R)-N-(1-(3-(4-nitrophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H24F3N5O4/c1-20(29-36-27-7-3-2-6-26(27)30(41)38(29)24-12-14-25(15-13-24)39(42)43)37(19-22-5-4-16-35-18-22)28(40)17-21-8-10-23(11-9-21)31(32,33)34/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IP10-induced CXCR3 mediated cell migration


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


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


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



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211114
PNG
((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211128
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-{(R)-1-[3-(4-...)
Show SMILES CCOCCN([C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H39N3O4/c1-4-34(36-38-33-15-11-10-14-32(33)37(42)40(36)30-20-22-31(23-21-30)44-6-3)39(24-25-43-5-2)35(41)26-27-16-18-29(19-17-27)28-12-8-7-9-13-28/h7-23,34H,4-6,24-26H2,1-3H3/t34-/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 ]IP10 from CXCR3 receptor expressed in PBMC


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


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


(Homo sapiens (Human))
BDBM50211121
PNG
((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydroquina...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H24F3N5O2/c1-21(30-38-28-7-3-2-6-27(28)31(42)40(30)26-14-10-23(18-36)11-15-26)39(20-24-5-4-16-37-19-24)29(41)17-22-8-12-25(13-9-22)32(33,34)35/h2-16,19,21H,17,20H2,1H3/t21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211123
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F4N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211123
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F4N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211143
PNG
((R)-N-(1-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroqui...)
Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H27F3N4O3/c1-21(30-37-28-8-4-3-7-27(28)31(41)39(30)25-13-15-26(42-2)16-14-25)38(20-23-6-5-17-36-19-23)29(40)18-22-9-11-24(12-10-22)32(33,34)35/h3-17,19,21H,18,20H2,1-2H3/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 CXCR3 receptor expressed in PBMC


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


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


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ITAC-induced CXCR3 mediated cell migration


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


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


(Homo sapiens (Human))
BDBM50211122
PNG
((R)-N-(1-(3-(4-chlorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H24ClF3N4O2/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-12-24(32)13-15-25)38(19-22-5-4-16-36-18-22)28(40)17-21-8-10-23(11-9-21)31(33,34)35/h2-16,18,20H,17,19H2,1H3/t20-/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 CXCR3 receptor expressed in PBMC


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


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


(Homo sapiens (Human))
BDBM50211115
PNG
((R)-N-(1-(4-oxo-3-p-tolyl-3,4-dihydroquinazolin-2-...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C32H27F3N4O2/c1-21-9-15-26(16-10-21)39-30(37-28-8-4-3-7-27(28)31(39)41)22(2)38(20-24-6-5-17-36-19-24)29(40)18-23-11-13-25(14-12-23)32(33,34)35/h3-17,19,22H,18,20H2,1-2H3/t22-/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 ]IP10 from CXCR3 receptor expressed in PBMC


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


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


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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of MIG-induced CXCR3 mediated cell migration


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


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


(Homo sapiens (Human))
BDBM50211119
PNG
((R)-N-(2-ethoxyethyl)-N-(1-(3-(4-fluorophenyl)-4-o...)
Show SMILES CCOCCN([C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N3O3/c1-3-39-17-16-35(26(37)18-20-8-10-21(11-9-20)29(31,32)33)19(2)27-34-25-7-5-4-6-24(25)28(38)36(27)23-14-12-22(30)13-15-23/h4-15,19H,3,16-18H2,1-2H3/t19-/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 CXCR3 receptor expressed in PBMC


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


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


(Homo sapiens (Human))
BDBM50211118
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1ccccn1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F4N4O2/c1-20(29-37-27-8-3-2-7-26(27)30(41)39(29)25-15-13-23(32)14-16-25)38(19-24-6-4-5-17-36-24)28(40)18-21-9-11-22(12-10-21)31(33,34)35/h2-17,20H,18-19H2,1H3/t20-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211156
PNG
(2-biphenyl-4-yl-N-(2-dimethylamino-ethyl)-N-{(R)-1...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C34H33FN4O2/c1-24(33-36-31-12-8-7-11-30(31)34(41)39(33)29-19-17-28(35)18-20-29)38(22-21-37(2)3)32(40)23-25-13-15-27(16-14-25)26-9-5-4-6-10-26/h4-20,24H,21-23H2,1-3H3/t24-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211132
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-{(R)-1-[3-(4-...)
Show SMILES CCOCCN([C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H37N3O4/c1-4-42-24-23-38(34(40)25-27-15-17-29(18-16-27)28-11-7-6-8-12-28)26(3)35-37-33-14-10-9-13-32(33)36(41)39(35)30-19-21-31(22-20-30)43-5-2/h6-22,26H,4-5,23-25H2,1-3H3/t26-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211117
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H28F4N4O2/c1-19(36(17-16-35(2)3)26(38)18-20-8-10-21(11-9-20)29(31,32)33)27-34-25-7-5-4-6-24(25)28(39)37(27)23-14-12-22(30)13-15-23/h4-15,19H,16-18H2,1-3H3/t19-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211129
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(Cc1nccs1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H22F4N4O2S/c1-18(27-35-24-5-3-2-4-23(24)28(39)37(27)22-12-10-21(30)11-13-22)36(17-25-34-14-15-40-25)26(38)16-19-6-8-20(9-7-19)29(31,32)33/h2-15,18H,16-17H2,1H3/t18-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211152
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2cnccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-12-8-24(9-13-25)40-30(38-28-19-37-16-14-27(28)31(40)42)21(2)39(20-23-5-4-15-36-18-23)29(41)17-22-6-10-26(11-7-22)44-32(33,34)35/h4-16,18-19,21H,3,17,20H2,1-2H3/t21-/m1/s1
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n/an/a 144n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211140
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H41FN4O2/c1-5-6-7-8-9-10-11-16-28(36)34(22-21-33(3)4)23(2)29-32-27-15-13-12-14-26(27)30(37)35(29)25-19-17-24(31)18-20-25/h12-15,17-20,23H,5-11,16,21-22H2,1-4H3/t23-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211151
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCCCCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C32H45FN4O2/c1-5-6-7-8-9-10-11-12-13-18-30(38)36(24-23-35(3)4)25(2)31-34-29-17-15-14-16-28(29)32(39)37(31)27-21-19-26(33)20-22-27/h14-17,19-22,25H,5-13,18,23-24H2,1-4H3/t25-/m1/s1
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n/an/a 154n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211150
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H28F4N4O3/c1-19(27-34-25-7-5-4-6-24(25)28(39)37(27)22-12-10-21(30)11-13-22)36(17-16-35(2)3)26(38)18-20-8-14-23(15-9-20)40-29(31,32)33/h4-15,19H,16-18H2,1-3H3/t19-/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211145
PNG
((R)-N-(2-(1H-imidazol-2-yl)-2-oxoethyl)-N-(1-(3-(4...)
Show SMILES C[C@@H](N(CC(=O)c1ncc[nH]1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H23F4N5O3/c1-18(28-37-24-5-3-2-4-23(24)29(42)39(28)22-12-10-21(31)11-13-22)38(17-25(40)27-35-14-15-36-27)26(41)16-19-6-8-20(9-7-19)30(32,33)34/h2-15,18H,16-17H2,1H3,(H,35,36)/t18-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211144
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES C[C@@H](N(CC(=O)c1cn(C)cn1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C31H25F4N5O3/c1-19(29-37-25-6-4-3-5-24(25)30(43)40(29)23-13-11-22(32)12-14-23)39(17-27(41)26-16-38(2)18-36-26)28(42)15-20-7-9-21(10-8-20)31(33,34)35/h3-14,16,18-19H,15,17H2,1-2H3/t19-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50167778
PNG
(CHEMBL194494 | Decanoic acid (2-dimethylamino-ethy...)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H41FN4O2/c1-5-6-7-8-9-10-11-16-28(36)34(22-21-33(3)4)23(2)29-32-27-15-13-12-14-26(27)30(37)35(29)25-19-17-24(31)18-20-25/h12-15,17-20,23H,5-11,16,21-22H2,1-4H3
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211142
PNG
((R)-N-(1-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-y...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H25F3N4O2/c1-21(29-36-27-12-6-5-11-26(27)30(40)38(29)25-9-3-2-4-10-25)37(20-23-8-7-17-35-19-23)28(39)18-22-13-15-24(16-14-22)31(32,33)34/h2-17,19,21H,18,20H2,1H3/t21-/m1/s1
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n/an/a 299n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211157
PNG
((R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquin...)
Show SMILES COCCN([C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N3O3/c1-18(34(15-16-38-2)25(36)17-19-7-9-20(10-8-19)28(30,31)32)26-33-24-6-4-3-5-23(24)27(37)35(26)22-13-11-21(29)12-14-22/h3-14,18H,15-17H2,1-2H3/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211155
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN4O2/c1-5-6-7-8-9-14-26(34)32(20-19-31(3)4)21(2)27-30-25-13-11-10-12-24(25)28(35)33(27)23-17-15-22(29)16-18-23/h10-13,15-18,21H,5-9,14,19-20H2,1-4H3/t21-/m1/s1
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211147
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropter...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2nccnc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C31H27F3N6O4/c1-3-43-24-12-8-23(9-13-24)40-29(38-28-27(30(40)42)36-15-16-37-28)20(2)39(19-22-5-4-14-35-18-22)26(41)17-21-6-10-25(11-7-21)44-31(32,33)34/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50167778
PNG
(CHEMBL194494 | Decanoic acid (2-dimethylamino-ethy...)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H41FN4O2/c1-5-6-7-8-9-10-11-16-28(36)34(22-21-33(3)4)23(2)29-32-27-15-13-12-14-26(27)30(37)35(29)25-19-17-24(31)18-20-25/h12-15,17-20,23H,5-11,16,21-22H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 assessed as inhibition of MIG-induced calcium mobilization


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


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


(Homo sapiens (Human))
BDBM50211120
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCCCCCCS(=O)(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H43FN4O3S/c1-5-6-7-8-9-10-11-14-23-39(37,38)34(22-21-33(3)4)24(2)29-32-28-16-13-12-15-27(28)30(36)35(29)26-19-17-25(31)18-20-26/h12-13,15-20,24H,5-11,14,21-23H2,1-4H3/t24-/m1/s1
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n/an/a 587n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211153
PNG
((R)-N-(2-(1H-imidazol-4-yl)-2-oxoethyl)-N-(1-(3-(4...)
Show SMILES C[C@@H](N(CC(=O)c1cnc[nH]1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H23F4N5O3/c1-18(28-37-24-5-3-2-4-23(24)29(42)39(28)22-12-10-21(31)11-13-22)38(16-26(40)25-15-35-17-36-25)27(41)14-19-6-8-20(9-7-19)30(32,33)34/h2-13,15,17-18H,14,16H2,1H3,(H,35,36)/t18-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211134
PNG
((R)-2-(1-((2-(dimethylamino)ethyl)(nonyl)amino)eth...)
Show SMILES CCCCCCCCCN(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H41FN4O/c1-5-6-7-8-9-10-13-20-33(22-21-32(3)4)23(2)28-31-27-15-12-11-14-26(27)29(35)34(28)25-18-16-24(30)17-19-25/h11-12,14-19,23H,5-10,13,20-22H2,1-4H3/t23-/m1/s1
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n/an/a 710n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211125
PNG
((R)-2-(1-((2-(dimethylamino)ethyl)(octyl)amino)eth...)
Show SMILES CCCCCCCCN(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C28H39FN4O/c1-5-6-7-8-9-12-19-32(21-20-31(3)4)22(2)27-30-26-14-11-10-13-25(26)28(34)33(27)24-17-15-23(29)16-18-24/h10-11,13-18,22H,5-9,12,19-21H2,1-4H3/t22-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211154
PNG
((R)-4-(4-oxo-2-(1-(N-(pyridin-3-ylmethyl)-2-(4-(tr...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H25F3N4O4/c1-20(29-37-27-7-3-2-6-26(27)30(41)39(29)25-14-10-23(11-15-25)31(42)43)38(19-22-5-4-16-36-18-22)28(40)17-21-8-12-24(13-9-21)32(33,34)35/h2-16,18,20H,17,19H2,1H3,(H,42,43)/t20-/m1/s1
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n/an/a 1.37E+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 17: 3339-43 (2007)


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


(Homo sapiens (Human))
BDBM50211136
PNG
((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...)
Show SMILES CCOc1ccc(cc1)-n1c(nc2cccnc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-27-7-5-17-37-29(27)31(40)42)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 1.40E+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 17: 3339-43 (2007)


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


(Homo sapiens (Human))
BDBM50211149
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCCCCS(=O)(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C28H39FN4O3S/c1-5-6-7-8-9-12-21-37(35,36)32(20-19-31(3)4)22(2)27-30-26-14-11-10-13-25(26)28(34)33(27)24-17-15-23(29)16-18-24/h10-11,13-18,22H,5-9,12,19-21H2,1-4H3/t22-/m1/s1
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n/an/a 1.40E+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 17: 3339-43 (2007)


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


(Homo sapiens (Human))
BDBM50211135
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-[3-(4-ethoxy-...)
Show SMILES CCOCCN(Cc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H35N3O4/c1-3-41-23-22-37(34(39)24-26-14-16-28(17-15-26)27-10-6-5-7-11-27)25-33-36-32-13-9-8-12-31(32)35(40)38(33)29-18-20-30(21-19-29)42-4-2/h5-21H,3-4,22-25H2,1-2H3
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n/an/a 2.30E+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 17: 3339-43 (2007)


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


(Homo sapiens (Human))
BDBM50211146
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-{(R)-[3-(4-et...)
Show SMILES CCOCCN([C@H](c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C41H39N3O4/c1-3-47-28-27-43(38(45)29-30-19-21-32(22-20-30)31-13-7-5-8-14-31)39(33-15-9-6-10-16-33)40-42-37-18-12-11-17-36(37)41(46)44(40)34-23-25-35(26-24-34)48-4-2/h5-26,39H,3-4,27-29H2,1-2H3/t39-/m1/s1
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n/an/a 4.00E+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 17: 3339-43 (2007)


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


(Homo sapiens (Human))
BDBM50211126
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES CCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O2/c1-5-6-7-12-24(32)30(18-17-29(3)4)19(2)25-28-23-11-9-8-10-22(23)26(33)31(25)21-15-13-20(27)14-16-21/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211139
PNG
(CHEMBL395771 | biphenyl-4-carboxylic acid (2-dimet...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FN4O2/c1-23(31-35-30-12-8-7-11-29(30)33(40)38(31)28-19-17-27(34)18-20-28)37(22-21-36(2)3)32(39)26-15-13-25(14-16-26)24-9-5-4-6-10-24/h4-20,23H,21-22H2,1-3H3/t23-/m1/s1
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211116
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)Cc1ccc(C)cc1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H31FN4O2/c1-20-9-11-22(12-10-20)19-27(35)33(18-17-32(3)4)21(2)28-31-26-8-6-5-7-25(26)29(36)34(28)24-15-13-23(30)14-16-24/h5-16,21H,17-19H2,1-4H3/t21-/m1/s1
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211133
PNG
((R)-N-(1-(3-(4-(methylsulfonyl)phenyl)-4-oxo-3,4-d...)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H27F3N4O4S/c1-21(38(20-23-6-5-17-36-19-23)29(40)18-22-9-11-24(12-10-22)32(33,34)35)30-37-28-8-4-3-7-27(28)31(41)39(30)25-13-15-26(16-14-25)44(2,42)43/h3-17,19,21H,18,20H2,1-2H3/t21-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211131
PNG
(2-biphenyl-4-yl-N-(2-ethoxy-ethyl)-N-{1-[3-(4-etho...)
Show SMILES CCOCCN(C(=O)Cc1ccc(cc1)-c1ccccc1)C(C)(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
Show InChI InChI=1S/C37H39N3O4/c1-5-43-25-24-39(34(41)26-27-16-18-29(19-17-27)28-12-8-7-9-13-28)37(3,4)36-38-33-15-11-10-14-32(33)35(42)40(36)30-20-22-31(23-21-30)44-6-2/h7-23H,5-6,24-26H2,1-4H3
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Amgen Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50211158
PNG
((R)-N-(2-(dimethylamino)ethyl)-N-(1-(3-(4-fluoroph...)
Show SMILES C[C@@H](N(CCN(C)C)C(=O)Cc1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4O2/c1-20(32(18-17-31(2)3)26(34)19-21-9-5-4-6-10-21)27-30-25-12-8-7-11-24(25)28(35)33(27)23-15-13-22(29)14-16-23/h4-16,20H,17-19H2,1-3H3/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.03.106
BindingDB Entry DOI: 10.7270/Q2VT1SXN
More data for this
Ligand-Target Pair
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