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PubMed code 22018463

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358614
PNG
(CHEMBL1921863)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NC |r|
Show InChI InChI=1S/C24H33Cl2N7O/c1-3-18-15-32(23-21(26)29-20(22(27)30-23)24(34)28-2)12-13-33(18)19-8-10-31(11-9-19)14-16-4-6-17(25)7-5-16/h4-7,18-19H,3,8-15H2,1-2H3,(H2,27,30)(H,28,34)/t18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50337250
PNG
((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H35Cl2N5O/c1-3-22-18-32(25-24(28)15-20(16-30-25)26(34)29-4-2)13-14-33(22)23-9-11-31(12-10-23)17-19-5-7-21(27)8-6-19/h5-8,15-16,22-23H,3-4,9-14,17-18H2,1-2H3,(H,29,34)/t22-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358617
PNG
(CHEMBL1921866)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCC(C)O |r|
Show InChI InChI=1S/C26H37Cl2N7O2/c1-3-20-16-34(25-23(28)31-22(24(29)32-25)26(37)30-14-17(2)36)12-13-35(20)21-8-10-33(11-9-21)15-18-4-6-19(27)7-5-18/h4-7,17,20-21,36H,3,8-16H2,1-2H3,(H2,29,32)(H,30,37)/t17?,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358616
PNG
(CHEMBL1921865)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCO |r|
Show InChI InChI=1S/C25H35Cl2N7O2/c1-2-19-16-33(24-22(27)30-21(23(28)31-24)25(36)29-9-14-35)12-13-34(19)20-7-10-32(11-8-20)15-17-3-5-18(26)6-4-17/h3-6,19-20,35H,2,7-16H2,1H3,(H2,28,31)(H,29,36)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358609
PNG
(CHEMBL1921858)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358615
PNG
(CHEMBL1921864)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C25H32Cl2F3N7O/c1-2-18-14-36(23-21(27)33-20(22(31)34-23)24(38)32-15-25(28,29)30)11-12-37(18)19-7-9-35(10-8-19)13-16-3-5-17(26)6-4-16/h3-6,18-19H,2,7-15H2,1H3,(H2,31,34)(H,32,38)/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358619
PNG
(CHEMBL1921868)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H35Cl2F3N8O3S/c1-2-19-16-38(13-14-39(19)20-7-11-37(12-8-20)15-17-3-5-18(27)6-4-17)24-22(28)35-21(23(32)36-24)25(40)33-9-10-34-43(41,42)26(29,30)31/h3-6,19-20,34H,2,7-16H2,1H3,(H2,32,36)(H,33,40)/t19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358630
PNG
(CHEMBL1921879)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)C |r|
Show InChI InChI=1S/C25H34Cl2N8O2/c1-4-16-14-34(23-21(27)31-19(13-29-23)24(36)30-15(2)3)11-12-35(16)17-7-9-33(10-8-17)25(37)18-5-6-20(26)32-22(18)28/h5-6,13,15-17H,4,7-12,14H2,1-3H3,(H2,28,32)(H,30,36)/t16-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358642
PNG
(CHEMBL1921891)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C27H35ClN6O2/c1-3-22-17-33(25-18(2)30-24(16-29-25)26(35)31-21-8-9-21)14-15-34(22)23-10-12-32(13-11-23)27(36)19-4-6-20(28)7-5-19/h4-7,16,21-23H,3,8-15,17H2,1-2H3,(H,31,35)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358629
PNG
(CHEMBL1921878)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C25H32Cl2N8O2/c1-2-16-14-34(23-21(27)31-19(13-29-23)24(36)30-15-3-4-15)11-12-35(16)17-7-9-33(10-8-17)25(37)18-5-6-20(26)32-22(18)28/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H2,28,32)(H,30,36)/t16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358608
PNG
(CHEMBL1921896)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C28H37ClN6O2/c1-4-23-17-34(26-19(3)31-25(15-30-26)27(36)32-22-9-10-22)18(2)16-35(23)24-11-13-33(14-12-24)28(37)20-5-7-21(29)8-6-20/h5-8,15,18,22-24H,4,9-14,16-17H2,1-3H3,(H,32,36)/t18-,23+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358634
PNG
(CHEMBL1921883)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(=O)NC |r|
Show InChI InChI=1S/C24H30ClF3N8O2/c1-3-14-13-35(21-19(24(26,27)28)32-17(12-31-21)22(37)30-2)10-11-36(14)15-6-8-34(9-7-15)23(38)16-4-5-18(25)33-20(16)29/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H2,29,33)(H,30,37)/t14-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358622
PNG
(CHEMBL1921871)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)N[C@@H]1CCOC1=O |r|
Show InChI InChI=1S/C27H35Cl2N7O3/c1-2-19-16-35(25-23(29)32-22(24(30)33-25)26(37)31-21-9-14-39-27(21)38)12-13-36(19)20-7-10-34(11-8-20)15-17-3-5-18(28)6-4-17/h3-6,19-21H,2,7-16H2,1H3,(H2,30,33)(H,31,37)/t19-,21+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358628
PNG
(CHEMBL1921877)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C26H36Cl2N8O2/c1-5-16-15-35(23-21(28)31-19(14-30-23)24(37)33-26(2,3)4)12-13-36(16)17-8-10-34(11-9-17)25(38)18-6-7-20(27)32-22(18)29/h6-7,14,16-17H,5,8-13,15H2,1-4H3,(H2,29,32)(H,33,37)/t16-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358635
PNG
(CHEMBL1921884)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C26H32ClF3N8O2/c1-2-16-14-37(23-21(26(28,29)30)34-19(13-32-23)24(39)33-15-3-4-15)11-12-38(16)17-7-9-36(10-8-17)25(40)18-5-6-20(27)35-22(18)31/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H2,31,35)(H,33,39)/t16-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358620
PNG
(CHEMBL1921869)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O |r|
Show InChI InChI=1S/C25H37Cl2N9O3S/c1-2-19-16-35(24-22(27)32-21(23(28)33-24)25(37)30-9-10-31-40(29,38)39)13-14-36(19)20-7-11-34(12-8-20)15-17-3-5-18(26)6-4-17/h3-6,19-20,31H,2,7-16H2,1H3,(H2,28,33)(H,30,37)(H2,29,38,39)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358638
PNG
(CHEMBL1921887)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C26H35ClN8O2/c1-3-18-15-34(24-16(2)30-21(14-29-24)25(36)31-17-4-5-17)12-13-35(18)19-8-10-33(11-9-19)26(37)20-6-7-22(27)32-23(20)28/h6-7,14,17-19H,3-5,8-13,15H2,1-2H3,(H2,28,32)(H,31,36)/t18-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358633
PNG
(CHEMBL1921882)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C23H28ClF3N8O2/c1-2-13-12-34(21-18(23(25,26)27)31-16(11-30-21)20(29)36)9-10-35(13)14-5-7-33(8-6-14)22(37)15-3-4-17(24)32-19(15)28/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,28,32)(H2,29,36)/t13-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358612
PNG
(CHEMBL1921861)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(CO)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C24H33Cl2N7O2/c1-2-17-13-32(24-21(26)29-20(23(28)35)22(27)30-24)11-12-33(17)18-7-9-31(10-8-18)19(14-34)15-3-5-16(25)6-4-15/h3-6,17-19,34H,2,7-14H2,1H3,(H2,27,30)(H2,28,35)/t17-,19?/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358641
PNG
(CHEMBL1921890)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1 |r|
Show InChI InChI=1S/C26H35ClN6O2/c1-4-21-17-32(24-18(3)30-23(16-29-24)25(34)28-5-2)14-15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,16,21-22H,4-5,10-15,17H2,1-3H3,(H,28,34)/t21-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358637
PNG
(CHEMBL1921886)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(=O)NC |r|
Show InChI InChI=1S/C24H33ClN8O2/c1-4-16-14-32(22-15(2)29-19(13-28-22)23(34)27-3)11-12-33(16)17-7-9-31(10-8-17)24(35)18-5-6-20(25)30-21(18)26/h5-6,13,16-17H,4,7-12,14H2,1-3H3,(H2,26,30)(H,27,34)/t16-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358627
PNG
(CHEMBL1921876)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C22H28Cl2N8O2/c1-2-13-12-31(21-18(24)28-16(11-27-21)20(26)33)9-10-32(13)14-5-7-30(8-6-14)22(34)15-3-4-17(23)29-19(15)25/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,25,29)(H2,26,33)/t13-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358631
PNG
(CHEMBL1921880)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NCCO |r|
Show InChI InChI=1S/C24H32Cl2N8O3/c1-2-15-14-33(22-20(26)30-18(13-29-22)23(36)28-7-12-35)10-11-34(15)16-5-8-32(9-6-16)24(37)17-3-4-19(25)31-21(17)27/h3-4,13,15-16,35H,2,5-12,14H2,1H3,(H2,27,31)(H,28,36)/t15-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358632
PNG
(CHEMBL1921881)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC[C@@H](C)O |r|
Show InChI InChI=1S/C25H34Cl2N8O3/c1-3-16-14-34(23-21(27)31-19(13-29-23)24(37)30-12-15(2)36)10-11-35(16)17-6-8-33(9-7-17)25(38)18-4-5-20(26)32-22(18)28/h4-5,13,15-17,36H,3,6-12,14H2,1-2H3,(H2,28,32)(H,30,37)/t15-,16+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358626
PNG
(CHEMBL1921875)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)C(=O)NCCO |r|
Show InChI InChI=1S/C24H33Cl2N9O3/c1-2-14-13-34(22-19(26)31-18(21(28)32-22)23(37)29-7-12-36)10-11-35(14)15-5-8-33(9-6-15)24(38)16-3-4-17(25)30-20(16)27/h3-4,14-15,36H,2,5-13H2,1H3,(H2,27,30)(H2,28,32)(H,29,37)/t14-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358640
PNG
(CHEMBL1921889)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC |r|
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-16-31(23-17(2)29-22(15-28-23)24(33)27-3)13-14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,15,20-21H,4,9-14,16H2,1-3H3,(H,27,33)/t20-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358610
PNG
(CHEMBL1921859)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C24H31ClF3N7O2/c1-2-16-14-34(23-20(25)31-19(22(30)36)21(29)32-23)11-12-35(16)17-7-9-33(10-8-17)13-15-3-5-18(6-4-15)37-24(26,27)28/h3-6,16-17H,2,7-14H2,1H3,(H2,29,32)(H2,30,36)/t16-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358636
PNG
(CHEMBL1921885)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C)C(N)=O |r|
Show InChI InChI=1S/C23H31ClN8O2/c1-3-15-13-31(22-14(2)28-18(12-27-22)21(26)33)10-11-32(15)16-6-8-30(9-7-16)23(34)17-4-5-19(24)29-20(17)25/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,25,29)(H2,26,33)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358625
PNG
(CHEMBL1921874)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2[C@H](O)C(N)=O)CC1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C25H34Cl2N8O3/c1-2-16-13-34(25-21(27)31-19(23(29)37)22(28)32-25)9-10-35(16)17-5-7-33(8-6-17)12-14-3-4-15(26)11-18(14)20(36)24(30)38/h3-4,11,16-17,20,36H,2,5-10,12-13H2,1H3,(H2,28,32)(H2,29,37)(H2,30,38)/t16-,20-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358607
PNG
(CHEMBL1921895)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC |r|
Show InChI InChI=1S/C26H35ClN6O2/c1-5-21-16-32(24-18(3)30-23(14-29-24)25(34)28-4)17(2)15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,28,34)/t17-,21+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358624
PNG
(CHEMBL1921873)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C26H38Cl2N8O3S/c1-3-20-17-35(25-23(28)32-22(24(29)33-25)26(37)30-10-11-31-40(2,38)39)14-15-36(20)21-8-12-34(13-9-21)16-18-4-6-19(27)7-5-18/h4-7,20-21,31H,3,8-17H2,1-2H3,(H2,29,33)(H,30,37)/t20-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358643
PNG
(CHEMBL1921892)
Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O |r|
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-15-31(24-17(3)29-22(13-28-24)23(27)33)16(2)14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,27,33)/t16-,20+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358621
PNG
(CHEMBL1921870)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCS(C)(=O)=O |r|
Show InChI InChI=1S/C26H37Cl2N7O3S/c1-3-20-17-34(25-23(28)31-22(24(29)32-25)26(36)30-10-15-39(2,37)38)13-14-35(20)21-8-11-33(12-9-21)16-18-4-6-19(27)7-5-18/h4-7,20-21H,3,8-17H2,1-2H3,(H2,29,32)(H,30,36)/t20-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358618
PNG
(CHEMBL1921867)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCC(C)(C)O |r|
Show InChI InChI=1S/C27H39Cl2N7O2/c1-4-20-16-35(25-23(29)32-22(24(30)33-25)26(37)31-17-27(2,3)38)13-14-36(20)21-9-11-34(12-10-21)15-18-5-7-19(28)8-6-18/h5-8,20-21,38H,4,9-17H2,1-3H3,(H2,30,33)(H,31,37)/t20-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358611
PNG
(CHEMBL1921860)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(cc2)C#N)CC1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C24H31ClN8O/c1-2-18-15-32(24-21(25)29-20(23(28)34)22(27)30-24)11-12-33(18)19-7-9-31(10-8-19)14-17-5-3-16(13-26)4-6-17/h3-6,18-19H,2,7-12,14-15H2,1H3,(H2,27,30)(H2,28,34)/t18-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358623
PNG
(CHEMBL1921872)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O |r|
Show InChI InChI=1S/C25H36ClF2N9O3S/c1-2-17-15-36(24-22(26)33-21(23(29)34-24)25(38)31-7-8-32-41(30,39)40)11-12-37(17)18-5-9-35(10-6-18)14-16-3-4-19(27)20(28)13-16/h3-4,13,17-18,32H,2,5-12,14-15H2,1H3,(H2,29,34)(H,31,38)(H2,30,39,40)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358639
PNG
(CHEMBL1921888)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O |r|
Show InChI InChI=1S/C24H31ClN6O2/c1-3-19-15-30(23-16(2)28-21(14-27-23)22(26)32)12-13-31(19)20-8-10-29(11-9-20)24(33)17-4-6-18(25)7-5-17/h4-7,14,19-20H,3,8-13,15H2,1-2H3,(H2,26,32)/t19-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358613
PNG
(CHEMBL1921862)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)C(N)=O |r|
Show InChI InChI=1S/C23H29Cl2N7O2/c1-2-16-13-31(22-19(25)28-18(21(27)33)20(26)29-22)11-12-32(16)17-7-9-30(10-8-17)23(34)14-3-5-15(24)6-4-14/h3-6,16-17H,2,7-13H2,1H3,(H2,26,29)(H2,27,33)/t16-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358605
PNG
(CHEMBL1921893)
Show SMILES CC[C@H]1CN([C@H](CC)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O |r|
Show InChI InChI=1S/C26H35ClN6O2/c1-4-20-16-33(25-17(3)30-23(14-29-25)24(28)34)21(5-2)15-32(20)22-10-12-31(13-11-22)26(35)18-6-8-19(27)9-7-18/h6-9,14,20-22H,4-5,10-13,15-16H2,1-3H3,(H2,28,34)/t20-,21+/m0/s1
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n/an/a 235n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50358606
PNG
(CHEMBL1921894)
Show SMILES CC[C@H]1CN([C@@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(N)=O |r|
Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-15-31(24-17(3)29-22(13-28-24)23(27)33)16(2)14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,13,16,20-21H,4,9-12,14-15H2,1-3H3,(H2,27,33)/t16-,20-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%