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PubMed code 27789141

Compile data set for download or QSAR
Found 58 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))		BDBM249581
PNG
(US9447038, 9)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249583
PNG
(US9447038, 11)
Show SMILES COc1cc(CN(CC2CC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C27H30ClFN2O6/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)/t22-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200716
PNG
(CHEMBL3916386)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249577
PNG
(US9447038, 5)
Show SMILES COc1cc(CN(CC(C)C)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r|
Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)/t23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249600
PNG
(US9447038, 28)
Show SMILES CCc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C30H37ClN2O5/c1-2-23-17-22(7-12-27(23)38-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-4-6-21)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,21,26H,2-6,13-16,18-20H2,1H3,(H,36,37)/t26-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249596
PNG
(US9447038, 24)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C27H32ClFN2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)/t23-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249574
PNG
(US9447038, 2)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H33ClN2O6/c1-18(2)16-29(22(15-27(33)34)20-5-7-21(28)8-6-20)17-19-4-9-23(24(14-19)35-3)36-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,33,34)
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n/an/a 34n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200713
PNG
(CHEMBL3915994)
Show SMILES Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)/t25-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200750
PNG
(CHEMBL3985748)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@@H](CC(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33ClN2O5/c1-18(2)16-29(23(15-27(33)34)21-5-7-22(28)8-6-21)17-20-4-9-24(19(3)14-20)35-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,23H,10-13,15-17H2,1-3H3,(H,33,34)/t23-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249587
PNG
(US9447038, 15)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C26H27Cl2FN2O5/c27-19-5-4-18(12-21(19)29)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(20(28)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249572
PNG
(US9447038, 1)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H36N2O7/c1-19(2)17-30(23(16-29(34)35)21-5-7-24-22(15-21)10-12-37-24)18-20-4-6-25(26(14-20)36-3)38-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,23H,8-13,16-18H2,1-3H3,(H,34,35)
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n/an/a 41n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249595
PNG
(US9447038, 23)
Show SMILES Cc1cc(CN(CC2CC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C27H31ClN2O5/c1-18-14-20(4-9-24(18)35-13-12-30-25(31)10-11-26(30)32)17-29(16-19-2-3-19)23(15-27(33)34)21-5-7-22(28)8-6-21/h4-9,14,19,23H,2-3,10-13,15-17H2,1H3,(H,33,34)/t23-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249576
PNG
(US9447038, 4)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)
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n/an/a 44n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200717
PNG
(CHEMBL3909175)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C27H32ClFN2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 47n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249589
PNG
(US9447038, 17)
Show SMILES COc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C29H34ClFN2O6/c1-38-26-14-20(6-9-25(26)39-13-12-33-27(34)10-11-28(33)35)18-32(17-19-4-2-3-5-19)24(16-29(36)37)21-7-8-22(30)23(31)15-21/h6-9,14-15,19,24H,2-5,10-13,16-18H2,1H3,(H,36,37)/t24-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249591
PNG
(US9447038, 19)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C26H27ClF2N2O5/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200719
PNG
(CHEMBL3921083)
Show SMILES Cl.Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C29H34ClFN2O5.ClH/c1-19-14-21(6-9-26(19)38-13-12-33-27(34)10-11-28(33)35)18-32(17-20-4-2-3-5-20)25(16-29(36)37)22-7-8-23(30)24(31)15-22;/h6-9,14-15,20,25H,2-5,10-13,16-18H2,1H3,(H,36,37);1H/t25-;/m0./s1
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n/an/a 60n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249642
PNG
(US9447038, 70)
Show SMILES CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O5/c1-3-4-13-29(23(17-27(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)35-15-14-30-25(31)11-12-26(30)32/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,33,34)
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n/an/a 61n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200718
PNG
(CHEMBL3969587)
Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H31ClN2O5/c1-18-14-20(4-9-24(18)35-13-12-30-25(31)10-11-26(30)32)17-29(16-19-2-3-19)23(15-27(33)34)21-5-7-22(28)8-6-21/h4-9,14,19,23H,2-3,10-13,15-17H2,1H3,(H,33,34)
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n/an/a 65n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249690
PNG
(US9447038, 118)
Show SMILES CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34ClN3O6/c1-4-5-13-31(23(18-27(34)35)21-7-9-22(29)10-8-21)19-20-6-11-24(25(17-20)37-3)38-16-15-32-26(33)12-14-30(2)28(32)36/h6-12,14,17,23H,4-5,13,15-16,18-19H2,1-3H3,(H,34,35)
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n/an/a 69n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249614
PNG
(US9447038, 42)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32ClFN2O6/c1-17(2)15-30(22(14-27(34)35)19-5-6-20(28)21(29)13-19)16-18-4-7-23(24(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 70n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249644
PNG
(US9447038, 72)
Show SMILES Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)
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n/an/a 71n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249758
PNG
(US9447038, 186)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C(C)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O6/c1-4-13-29(26(18(2)27(33)34)20-6-8-21(28)9-7-20)17-19-5-10-22(23(16-19)35-3)36-15-14-30-24(31)11-12-25(30)32/h5-10,16,18,26H,4,11-15,17H2,1-3H3,(H,33,34)
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n/an/a 73n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249641
PNG
(US9447038, 69)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN2O5/c1-18(2)16-29(23(15-27(33)34)21-5-7-22(28)8-6-21)17-20-4-9-24(19(3)14-20)35-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,23H,10-13,15-17H2,1-3H3,(H,33,34)
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n/an/a 74n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249738
PNG
(US9447038, 166)
Show SMILES Cc1cc(CN(Cc2ccc(F)cc2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H30ClFN2O5/c1-20-16-22(4-11-27(20)39-15-14-34-28(35)12-13-29(34)36)19-33(18-21-2-9-25(32)10-3-21)26(17-30(37)38)23-5-7-24(31)8-6-23/h2-11,16,26H,12-15,17-19H2,1H3,(H,37,38)
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n/an/a 78n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249716
PNG
(US9447038, 144)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C29H36N2O6/c1-19(2)17-30(24(16-29(34)35)22-5-7-26-23(15-22)10-12-36-26)18-21-4-6-25(20(3)14-21)37-13-11-31-27(32)8-9-28(31)33/h4-7,14-15,19,24H,8-13,16-18H2,1-3H3,(H,34,35)
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n/an/a 80n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249652
PNG
(US9447038, 80)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H32Cl2N2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 81n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249645
PNG
(US9447038, 73)
Show SMILES Cc1cc(CN(CC2CCCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H37ClN2O5/c1-21-17-23(7-12-27(21)38-16-15-33-28(34)13-14-29(33)35)20-32(19-22-5-3-2-4-6-22)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,22,26H,2-6,13-16,18-20H2,1H3,(H,36,37)
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n/an/a 81n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249686
PNG
(US9447038, 114)
Show SMILES Cc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O5/c1-19-15-21(5-10-25(19)37-14-13-32-26(33)11-12-30(2)28(32)36)18-31(17-20-3-4-20)24(16-27(34)35)22-6-8-23(29)9-7-22/h5-12,15,20,24H,3-4,13-14,16-18H2,1-2H3,(H,34,35)
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n/an/a 91n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249688
PNG
(US9447038, 116)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O6/c1-30-12-11-26(33)32(28(30)36)13-14-38-24-10-5-20(15-25(24)37-2)18-31(17-19-3-4-19)23(16-27(34)35)21-6-8-22(29)9-7-21/h5-12,15,19,23H,3-4,13-14,16-18H2,1-2H3,(H,34,35)
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n/an/a 91n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249579
PNG
(US9447038, 7)
Show SMILES Cc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O5/c1-19-16-20(6-11-25(19)37-15-14-31-26(33)12-13-30(2)28(31)36)18-32(23-4-3-5-23)24(17-27(34)35)21-7-9-22(29)10-8-21/h6-13,16,23-24H,3-5,14-15,17-18H2,1-2H3,(H,34,35)
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n/an/a 95n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249692
PNG
(US9447038, 120)
Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C30H35N3O7/c1-31-11-9-28(34)33(30(31)37)12-14-40-26-7-5-21(15-27(26)38-2)19-32(18-20-3-4-20)24(17-29(35)36)22-6-8-25-23(16-22)10-13-39-25/h5-9,11,15-16,20,24H,3-4,10,12-14,17-19H2,1-2H3,(H,35,36)
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n/an/a 96n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249585
PNG
(US9447038, 13)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H27Cl2FN2O5/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249775
PNG
(US9447038, 203)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)s1
Show InChI InChI=1S/C24H29ClN2O5S/c1-3-10-26(18(14-24(30)31)20-6-7-21(25)33-20)15-17-4-5-19(16(2)13-17)32-12-11-27-22(28)8-9-23(27)29/h4-7,13,18H,3,8-12,14-15H2,1-2H3,(H,30,31)
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n/an/a 105n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249578
PNG
(US9447038, 6)
Show SMILES COc1cc(CN(CC(C)C)[C@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r|
Show InChI InChI=1S/C28H34ClN3O6/c1-19(2)17-31(23(16-27(34)35)21-6-8-22(29)9-7-21)18-20-5-10-24(25(15-20)37-4)38-14-13-32-26(33)11-12-30(3)28(32)36/h5-12,15,19,23H,13-14,16-18H2,1-4H3,(H,34,35)/t23-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249723
PNG
(US9447038, 151)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2Cl)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32Cl2N2O6/c1-17(2)15-30(22(14-27(34)35)20-6-5-19(28)13-21(20)29)16-18-4-7-23(24(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 110n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249640
PNG
(US9447038, 68)
Show SMILES Cc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H31ClN2O5/c1-18-15-19(5-10-24(18)35-14-13-29-25(31)11-12-26(29)32)17-30(22-3-2-4-22)23(16-27(33)34)20-6-8-21(28)9-7-20/h5-10,15,22-23H,2-4,11-14,16-17H2,1H3,(H,33,34)
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n/an/a 118n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249694
PNG
(US9447038, 122)
Show SMILES CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C30H37N3O7/c1-4-5-12-32(24(19-29(35)36)22-7-9-25-23(18-22)11-15-39-25)20-21-6-8-26(27(17-21)38-3)40-16-14-33-28(34)10-13-31(2)30(33)37/h6-10,13,17-18,24H,4-5,11-12,14-16,19-20H2,1-3H3,(H,35,36)
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n/an/a 122n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249685
PNG
(US9447038, 113)
Show SMILES CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32ClN3O5/c1-4-12-30(23(17-26(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)36-15-14-31-25(32)11-13-29(3)27(31)35/h5-11,13,16,23H,4,12,14-15,17-18H2,1-3H3,(H,33,34)
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n/an/a 123n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249582
PNG
(US9447038, 10)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)[C@H](CC(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31ClN2O5/c1-3-12-28(22(16-26(32)33)20-5-7-21(27)8-6-20)17-19-4-9-23(18(2)15-19)34-14-13-29-24(30)10-11-25(29)31/h4-9,15,22H,3,10-14,16-17H2,1-2H3,(H,32,33)/t22-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249689
PNG
(US9447038, 117)
Show SMILES CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32ClN3O6/c1-4-12-30(22(17-26(33)34)20-6-8-21(28)9-7-20)18-19-5-10-23(24(16-19)36-3)37-15-14-31-25(32)11-13-29(2)27(31)35/h5-11,13,16,22H,4,12,14-15,17-18H2,1-3H3,(H,33,34)
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n/an/a 132n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249619
PNG
(US9447038, 47)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32Cl2N2O6/c1-17(2)15-30(22(14-27(34)35)19-5-6-20(28)21(29)13-19)16-18-4-7-23(24(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 143n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249693
PNG
(US9447038, 121)
Show SMILES COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc3OCCc3c2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C30H37N3O7/c1-20(2)18-32(24(17-29(35)36)22-6-8-25-23(16-22)10-13-39-25)19-21-5-7-26(27(15-21)38-4)40-14-12-33-28(34)9-11-31(3)30(33)37/h5-9,11,15-16,20,24H,10,12-14,17-19H2,1-4H3,(H,35,36)
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n/an/a 146n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249691
PNG
(US9447038, 119)
Show SMILES COc1cc(CN(C(CC(O)=O)c2ccc(Cl)cc2)C2CCC2)ccc1OCCn1c(=O)ccn(C)c1=O
Show InChI InChI=1S/C28H32ClN3O6/c1-30-13-12-26(33)31(28(30)36)14-15-38-24-11-6-19(16-25(24)37-2)18-32(22-4-3-5-22)23(17-27(34)35)20-7-9-21(29)10-8-20/h6-13,16,22-23H,3-5,14-15,17-18H2,1-2H3,(H,34,35)
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n/an/a 152n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249695
PNG
(US9447038, 123)
Show SMILES CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show InChI InChI=1S/C29H35N3O7/c1-4-11-31(23(18-28(34)35)21-6-8-24-22(17-21)10-14-38-24)19-20-5-7-25(26(16-20)37-3)39-15-13-32-27(33)9-12-30(2)29(32)36/h5-9,12,16-17,23H,4,10-11,13-15,18-19H2,1-3H3,(H,34,35)
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n/an/a 154n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249755
PNG
(US9447038, 183)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN2O6/c1-3-12-27(24(25(31)32)18-5-7-19(26)8-6-18)16-17-4-9-20(21(15-17)33-2)34-14-13-28-22(29)10-11-23(28)30/h4-9,15,24H,3,10-14,16H2,1-2H3,(H,31,32)
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n/an/a 256n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249734
PNG
(US9447038, 162)
Show SMILES CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H32Cl2N2O5/c1-17(2)15-30(23(14-27(34)35)21-6-5-20(28)13-22(21)29)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)
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n/an/a 263n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249639
PNG
(US9447038, 67)
Show SMILES CCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN2O5/c1-3-27(21(15-25(31)32)19-5-7-20(26)8-6-19)16-18-4-9-22(17(2)14-18)33-13-12-28-23(29)10-11-24(28)30/h4-9,14,21H,3,10-13,15-16H2,1-2H3,(H,31,32)
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n/an/a 424n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249684
PNG
(US9447038, 112)
Show SMILES CCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H30ClN3O5/c1-4-29(22(16-25(32)33)20-6-8-21(27)9-7-20)17-19-5-10-23(18(2)15-19)35-14-13-30-24(31)11-12-28(3)26(30)34/h5-12,15,22H,4,13-14,16-17H2,1-3H3,(H,32,33)
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n/an/a 428n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249687
PNG
(US9447038, 115)
Show SMILES CCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H30ClN3O6/c1-4-29(21(16-25(32)33)19-6-8-20(27)9-7-19)17-18-5-10-22(23(15-18)35-3)36-14-13-30-24(31)11-12-28(2)26(30)34/h5-12,15,21H,4,13-14,16-17H2,1-3H3,(H,32,33)
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n/an/a 440n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249729
PNG
(US9447038, 157)
Show SMILES Cc1cc(CN(CCC(F)(F)F)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C26H28ClF3N2O5/c1-17-14-18(2-7-22(17)37-13-12-32-23(33)8-9-24(32)34)16-31(11-10-26(28,29)30)21(15-25(35)36)19-3-5-20(27)6-4-19/h2-7,14,21H,8-13,15-16H2,1H3,(H,35,36)
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n/an/a 650n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249580
PNG
(US9447038, 8)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(c1ccc(Cl)cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C28H33ClN2O5/c1-3-14-30(26(28(12-13-28)27(34)35)21-5-7-22(29)8-6-21)18-20-4-9-23(19(2)17-20)36-16-15-31-24(32)10-11-25(31)33/h4-9,17,26H,3,10-16,18H2,1-2H3,(H,34,35)
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n/an/a 677n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200715
PNG
(CHEMBL3912263)
Show SMILES CN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O5/c1-17-14-18(16-28(3)21(15-24(31)32)19-5-7-20(26)8-6-19)4-9-22(17)34-13-12-29-23(30)10-11-27(2)25(29)33/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM249744
PNG
(US9447038, 172)
Show SMILES CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C1C(Cc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C27H31ClN2O5/c1-3-10-29(26-21-6-5-20(28)14-19(21)15-22(26)27(33)34)16-18-4-7-23(17(2)13-18)35-12-11-30-24(31)8-9-25(30)32/h4-7,13-14,22,26H,3,8-12,15-16H2,1-2H3,(H,33,34)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200714
PNG
(CHEMBL3911113)
Show SMILES C[C@H](N(CC1CCCC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(c1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33ClN2O5/c1-19(22-7-9-23(29)10-8-22)30(17-20-4-2-3-5-20)18-21-6-11-25(24(16-21)28(34)35)36-15-14-31-26(32)12-13-27(31)33/h6-11,16,19-20H,2-5,12-15,17-18H2,1H3,(H,34,35)/t19-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50200713
PNG
(CHEMBL3915994)
Show SMILES Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM249587
PNG
(US9447038, 15)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C26H27Cl2FN2O5/c27-19-5-4-18(12-21(19)29)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(20(28)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM249591
PNG
(US9447038, 19)
Show SMILES OC(=O)C[C@H](N(CC1CC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C26H27ClF2N2O5/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 26: 5429-5437 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.038
BindingDB Entry DOI: 10.7270/Q2514164
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%