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PubMed code 27789137

Compile data set for download or QSAR
Found 63 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))		BDBM166453
PNG
(US9073853, 12)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)|
Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m0/s1
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n/an/a 13n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166446
PNG
(US9073853, 5)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r,wU:17.18,8.7,wD:11.14,(4.82,-2.54,;3.48,-3.31,;2.15,-2.54,;.82,-3.31,;-.52,-2.54,;-1.85,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-4.52,-3.31,;-4.52,-4.85,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,)|
Show InChI InChI=1S/C30H37ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h5,8-12,17,20-21,24H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t20-,21-,24-/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166529
PNG
(US9073853, 88)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1SCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)|
Show InChI InChI=1S/C31H37ClN2O5S/c1-39-27-16-21(4-11-28(27)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166451
PNG
(US9073853, 10)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)|
Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26?
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n/an/a 24n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166455
PNG
(US9073853, 14)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-5.64,-2.59,;-6.27,-1.19,;-7.8,-1.02,;-8.71,-2.27,;-10.19,-1.87,;-8.08,-3.68,;-9.11,-4.71,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)|
Show InChI InChI=1S/C31H36Cl2N2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1
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n/an/a 25n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166589
PNG
(US9073853, 148)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.15,-2.3,;3.82,-3.07,;2.49,-2.3,;1.15,-3.07,;-.18,-2.3,;-1.52,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.16,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;2.99,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.65,-5.08,;-6.55,-3.84,;-5.65,-2.59,;-6.27,-1.19,;-7.81,-1.02,;-8.71,-2.27,;-10.2,-1.87,;-8.08,-3.68,;-9.17,-4.77,;-.18,-.76,;1.15,.01,;2.49,-.76,;3.82,.01,;5.15,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.48,-3.06,;9.28,-2.79,;10.2,-1.55,;9.28,-.3,;9.68,1.19,)|
Show InChI InChI=1S/C31H36ClFN2O6/c1-40-27-16-20(4-11-26(27)41-15-14-35-28(36)12-13-29(35)37)18-34(17-19-2-5-21(6-3-19)31(38)39)25-10-8-23-22(25)7-9-24(32)30(23)33/h4,7,9,11,16,19,21,25H,2-3,5-6,8,10,12-15,17-18H2,1H3,(H,38,39)/t19-,21-,25-/m0/s1
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n/an/a 26n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166457
PNG
(US9073853, 16)
Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc2OCCc2c1 |r,wU:4.3,wD:7.10,(-4,-4.85,;-4,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-1.33,-3.31,;,-2.54,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,;2.67,-2.54,;4,-3.31,;1.33,-3.31,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,)|
Show InChI InChI=1S/C31H37ClN2O6/c1-20(24-7-9-27-25(17-24)12-14-39-27)33(18-21-2-5-23(6-3-21)31(37)38)19-22-4-8-28(26(32)16-22)40-15-13-34-29(35)10-11-30(34)36/h4,7-9,16-17,20-21,23H,2-3,5-6,10-15,18-19H2,1H3,(H,37,38)/t20?,21-,23-
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n/an/a 35n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166456
PNG
(US9073853, 15)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CSC1=O |r,wU:8.7,wD:11.14,(5.33,-2.54,;4,-3.31,;2.67,-2.54,;1.33,-3.31,;,-2.54,;-1.33,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-4,-3.31,;-4,-4.85,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,)|
Show InChI InChI=1S/C31H38N2O7S/c1-20(24-8-10-26-25(16-24)11-13-39-26)32(17-21-3-6-23(7-4-21)30(35)36)18-22-5-9-27(28(15-22)38-2)40-14-12-33-29(34)19-41-31(33)37/h5,8-10,15-16,20-21,23H,3-4,6-7,11-14,17-19H2,1-2H3,(H,35,36)/t20?,21-,23-
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n/an/a 37n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200710
PNG
(CHEMBL3910455)
Show SMILES CCC(N(CC(C)C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C29H38N2O5/c1-5-24(22-7-9-25-23(17-22)12-14-35-25)30(18-20(2)3)19-21-6-8-26(27(16-21)34-4)36-15-13-31-28(32)10-11-29(31)33/h6-9,16-17,20,24H,5,10-15,18-19H2,1-4H3
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n/an/a 38n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166448
PNG
(US9073853, 7)
Show SMILES C[C@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc(Cl)cc1 |r,wU:1.0,4.3,wD:7.10,(-4.52,-4.85,;-4.52,-3.31,;-3.19,-2.54,;-3.19,-1,;-2.1,.09,;-2.5,1.58,;-1.41,2.67,;.08,2.27,;.48,.78,;-.61,-.31,;1.17,3.36,;.77,4.85,;2.66,2.96,;-1.85,-3.31,;-.52,-2.54,;-.52,-1,;.82,-.23,;2.15,-1,;3.48,-.23,;4.82,-1,;6.15,-.23,;7.48,-1,;8.95,-.52,;9.72,.81,;9.85,-1.77,;8.95,-3.01,;7.48,-2.54,;6.15,-3.31,;2.15,-2.54,;3.48,-3.31,;.82,-3.31,;-5.85,-2.54,;-5.85,-1,;-7.19,-.23,;-8.52,-1,;-9.85,-.23,;-8.52,-2.54,;-7.19,-3.31,)|
Show InChI InChI=1S/C30H37ClN2O5/c1-20-17-23(5-12-27(20)38-16-15-33-28(34)13-14-29(33)35)19-32(21(2)24-8-10-26(31)11-9-24)18-22-3-6-25(7-4-22)30(36)37/h5,8-12,17,21-22,25H,3-4,6-7,13-16,18-19H2,1-2H3,(H,36,37)/t21-,22-,25-/m0/s1
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n/an/a 38n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166458
PNG
(US9073853, 17)
Show SMILES CC(N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc2OCCc2c1 |r,wU:4.3,wD:7.10,(-4,-4.85,;-4,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-1.33,-3.31,;,-2.54,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,;2.67,-2.54,;4,-3.31,;1.33,-3.31,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,)|
Show InChI InChI=1S/C32H40N2O6/c1-21-17-24(5-9-28(21)40-16-14-34-30(35)11-12-31(34)36)20-33(19-23-3-6-25(7-4-23)32(37)38)22(2)26-8-10-29-27(18-26)13-15-39-29/h5,8-10,17-18,22-23,25H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t22?,23-,25-
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200689
PNG
(CHEMBL3902703)
Show SMILES COc1cc(CN(CC2CCCCC2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C31H40N2O5/c1-22(25-9-11-27-26(19-25)14-16-37-27)32(20-23-6-4-3-5-7-23)21-24-8-10-28(29(18-24)36-2)38-17-15-33-30(34)12-13-31(33)35/h8-11,18-19,22-23H,3-7,12-17,20-21H2,1-2H3
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n/an/a 52n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166471
PNG
(US9073853, 30)
Show SMILES Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:16.16,7.6,wD:10.13,(3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)|
Show InChI InChI=1S/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27-/m0/s1
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n/an/a 53n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200702
PNG
(CHEMBL3973397)
Show SMILES COc1cc(CN(CC(C)C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-29(20(3)22-6-8-24-23(16-22)11-13-34-24)18-21-5-7-25(26(15-21)33-4)35-14-12-30-27(31)9-10-28(30)32/h5-8,15-16,19-20H,9-14,17-18H2,1-4H3
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n/an/a 55n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166460
PNG
(US9073853, 19)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)COC1=O |r,wU:8.7,wD:11.14,(5.33,-2.54,;4,-3.31,;2.67,-2.54,;1.33,-3.31,;,-2.54,;-1.33,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-4,-3.31,;-4,-4.85,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;8,-2.54,;6.67,-3.31,;9.47,-3.01,;10.37,-1.77,;9.47,-.52,;9.87,.97,)|
Show InChI InChI=1S/C31H38N2O8/c1-20(24-8-10-26-25(16-24)11-13-39-26)32(17-21-3-6-23(7-4-21)30(35)36)18-22-5-9-27(28(15-22)38-2)40-14-12-33-29(34)19-41-31(33)37/h5,8-10,15-16,20-21,23H,3-4,6-7,11-14,17-19H2,1-2H3,(H,35,36)/t20?,21-,23-
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n/an/a 55n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200693
PNG
(CHEMBL3965002)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:11.14,(32.38,-52.25,;33.71,-51.47,;35.05,-52.22,;36.38,-51.44,;37.72,-52.21,;39.05,-51.43,;39.05,-49.9,;40.37,-49.12,;41.71,-49.88,;43.04,-49.09,;44.39,-49.85,;44.39,-51.39,;43.05,-52.17,;41.71,-51.41,;45.5,-52.46,;45.13,-53.96,;46.97,-52.03,;37.71,-49.14,;36.38,-49.92,;37.71,-47.6,;39.03,-46.83,;39.03,-45.29,;37.68,-44.53,;37.34,-43.02,;35.8,-42.87,;35.18,-44.29,;36.34,-45.32,;36.34,-46.85,;37.72,-53.75,;36.41,-54.53,;35.05,-53.77,;33.74,-54.56,;32.4,-53.8,;31.08,-54.59,;29.82,-53.7,;28.36,-54.19,;27.91,-55.66,;27.44,-52.96,;28.33,-51.7,;29.82,-52.16,;31.04,-51.24,)|
Show InChI InChI=1S/C32H40N2O7/c1-21(25-8-10-27-26(18-25)13-15-40-27)33(19-22-3-6-24(7-4-22)32(37)38)20-23-5-9-28(29(17-23)39-2)41-16-14-34-30(35)11-12-31(34)36/h5,8-10,17-18,21-22,24H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t21?,22-,24-
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200670
PNG
(CHEMBL3909088)
Show SMILES COc1cc(CN(CC(C)C)Cc2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H34N2O5/c1-19(2)16-28(17-20-4-6-23-22(14-20)10-12-33-23)18-21-5-7-24(25(15-21)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,14-15,19H,8-13,16-18H2,1-3H3
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200679
PNG
(CHEMBL3916901)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3
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n/an/a 74n/an/an/an/an/an/a



Sanofi Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human Galphai4qi4-coupled CXCR3A expressed in engineered CHO cells assessed as inhibition of IP-10-induced calcium mobilizatio...

Bioorg Med Chem Lett 26: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166478
PNG
(US9073853, 37)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O |r,wU:17.18,8.7,wD:11.14,(4.67,-2.54,;3.33,-3.31,;2,-2.54,;.67,-3.31,;-.67,-2.54,;-2,-3.31,;-3.33,-2.54,;-3.33,-1,;-2.25,.09,;-2.64,1.58,;-1.55,2.67,;-.07,2.27,;.33,.78,;-.76,-.31,;1.02,3.36,;.62,4.85,;2.51,2.96,;-4.67,-3.31,;-4.67,-4.85,;-6,-2.54,;-6,-1,;-7.34,-.23,;-8.67,-1,;-10,-.23,;-8.67,-2.54,;-7.34,-3.31,;-.67,-1,;.67,-.23,;2,-1,;3.33,-.23,;4.67,-1,;6,-.23,;7.34,-1,;8.67,-.23,;8.67,1.31,;10,-1,;10,-2.54,;8.67,-3.31,;8.67,-4.85,;7.34,-2.54,;6,-3.31,)|
Show InChI InChI=1S/C31H38ClN3O6/c1-21(24-9-11-26(32)12-10-24)34(19-22-4-7-25(8-5-22)30(37)38)20-23-6-13-27(28(18-23)40-3)41-17-16-35-29(36)14-15-33(2)31(35)39/h6,9-15,18,21-22,25H,4-5,7-8,16-17,19-20H2,1-3H3,(H,37,38)/t21-,22-,25-/m0/s1
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n/an/a 76n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200704
PNG
(CHEMBL3922202)
Show SMILES COc1cc(CN(CC(C)O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H34N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,18-19,30H,8-13,16-17H2,1-3H3
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n/an/a 77n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200687
PNG
(CHEMBL3920647)
Show SMILES COc1cc(CN(CCO)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C26H32N2O6/c1-18(20-4-6-22-21(16-20)9-13-33-22)27(10-12-29)17-19-3-5-23(24(15-19)32-2)34-14-11-28-25(30)7-8-26(28)31/h3-6,15-16,18,29H,7-14,17H2,1-2H3
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n/an/a 82n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200705
PNG
(CHEMBL3932780)
Show SMILES COc1cc(CN(Cc2ccc(F)cc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C31H33FN2O5/c1-21(24-6-10-27-25(18-24)13-15-38-27)33(19-22-3-7-26(32)8-4-22)20-23-5-9-28(29(17-23)37-2)39-16-14-34-30(35)11-12-31(34)36/h3-10,17-18,21H,11-16,19-20H2,1-2H3
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200678
PNG
(CHEMBL3970774)
Show SMILES C[C@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)c1ccc(Cl)cc1 |r,wU:1.0,4.3,wD:7.10,(33.96,-33.61,;33.96,-32.07,;35.32,-31.35,;35.32,-29.8,;36.72,-29.07,;36.72,-27.54,;38.13,-26.81,;39.44,-27.62,;39.44,-29.16,;38.03,-29.89,;40.79,-26.9,;42.1,-27.71,;40.79,-25.36,;36.59,-32.15,;36.59,-33.69,;35.23,-34.42,;35.23,-35.96,;36.5,-36.76,;36.5,-38.3,;37.76,-39.11,;37.76,-40.65,;36.4,-41.52,;36.4,-43.06,;37.61,-44.01,;34.92,-43.5,;34.05,-42.22,;32.51,-42.22,;35,-41,;34.56,-39.52,;37.86,-36.03,;39.17,-36.83,;37.86,-34.49,;32.65,-31.27,;31.29,-31.99,;30.04,-31.19,;30.04,-29.65,;28.73,-28.83,;31.38,-28.92,;32.65,-29.72,)|
Show InChI InChI=1S/C30H38ClN3O5/c1-20-16-23(6-13-27(20)39-15-14-34-28(35)19-32(3)30(34)38)18-33(21(2)24-9-11-26(31)12-10-24)17-22-4-7-25(8-5-22)29(36)37/h6,9-13,16,21-22,25H,4-5,7-8,14-15,17-19H2,1-3H3,(H,36,37)/t21-,22-,25-/m0/s1
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n/an/a 99n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200683
PNG
(CHEMBL3920319)
Show SMILES CCCC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C27H34N2O5/c1-4-5-22(20-7-9-23-21(17-20)12-14-33-23)28(2)18-19-6-8-24(25(16-19)32-3)34-15-13-29-26(30)10-11-27(29)31/h6-9,16-17,22H,4-5,10-15,18H2,1-3H3
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200682
PNG
(CHEMBL3965490)
Show SMILES CCC(N(CC)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C27H34N2O5/c1-4-22(20-7-9-23-21(17-20)12-14-33-23)28(5-2)18-19-6-8-24(25(16-19)32-3)34-15-13-29-26(30)10-11-27(29)31/h6-9,16-17,22H,4-5,10-15,18H2,1-3H3
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200691
PNG
(CHEMBL3973261)
Show SMILES COc1cc(CN(Cc2ccc(cc2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H34N2O7/c1-21(25-8-10-27-26(18-25)13-15-40-27)33(19-22-3-6-24(7-4-22)32(37)38)20-23-5-9-28(29(17-23)39-2)41-16-14-34-30(35)11-12-31(34)36/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,37,38)
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n/an/a 120n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200700
PNG
(CHEMBL3950573)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CSC1=O
Show InChI InChI=1S/C24H28N2O5S/c1-16(18-5-7-20-19(13-18)8-10-30-20)25(2)14-17-4-6-21(22(12-17)29-3)31-11-9-26-23(27)15-32-24(26)28/h4-7,12-13,16H,8-11,14-15H2,1-3H3
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n/an/a 120n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200668
PNG
(CHEMBL3944817)
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/C32H30F3N5O4/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/h4-17,19,21,30H,3,18,20H2,1-2H3,(H,37,38)/t21-,30?/m1/s1
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n/an/a 121n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200692
PNG
(CHEMBL3981260)
Show SMILES COc1cc(CN(Cc2ccc(cc2)-c2nnn[nH]2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)
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n/an/a 126n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200703
PNG
(CHEMBL3905602)
Show SMILES COc1cc(CN(Cc2ccncc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H33N3O5/c1-21(24-4-6-26-25(18-24)11-15-37-26)32(19-22-9-12-31-13-10-22)20-23-3-5-27(28(17-23)36-2)38-16-14-33-29(34)7-8-30(33)35/h3-6,9-10,12-13,17-18,21H,7-8,11,14-16,19-20H2,1-2H3
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200673
PNG
(CHEMBL3928025)
Show SMILES COc1cc(CN(Cc2ccc(\C=C\C(O)=O)cc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C34H36N2O7/c1-23(27-9-11-29-28(20-27)15-17-42-29)35(21-25-5-3-24(4-6-25)8-14-34(39)40)22-26-7-10-30(31(19-26)41-2)43-18-16-36-32(37)12-13-33(36)38/h3-11,14,19-20,23H,12-13,15-18,21-22H2,1-2H3,(H,39,40)/b14-8+
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n/an/a 138n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200708
PNG
(CHEMBL3892445)
Show SMILES COc1cc(CN(C)[C@@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3/t17-/m0/s1
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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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200706
PNG
(CHEMBL3943746)
Show SMILES CCC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C33H36N2O7/c1-3-27(25-9-11-28-26(19-25)14-16-41-28)34(20-22-4-7-24(8-5-22)33(38)39)21-23-6-10-29(30(18-23)40-2)42-17-15-35-31(36)12-13-32(35)37/h4-11,18-19,27H,3,12-17,20-21H2,1-2H3,(H,38,39)
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n/an/a 160n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166512
PNG
(US9073853, 71)
Show SMILES CCc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)|
Show InChI InChI=1S/C32H39ClN2O5/c1-2-23-17-22(5-12-29(23)40-16-15-35-30(36)13-14-31(35)37)20-34(19-21-3-6-24(7-4-21)32(38)39)28-11-8-25-18-26(33)9-10-27(25)28/h5,9-10,12,17-18,21,24,28H,2-4,6-8,11,13-16,19-20H2,1H3,(H,38,39)/t21-,24-,28-/m0/s1
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n/an/a 176n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200677
PNG
(CHEMBL3963969)
Show SMILES CC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C24H27ClN2O4/c1-16(18-4-6-21-19(14-18)9-11-30-21)26(2)15-17-3-5-22(20(25)13-17)31-12-10-27-23(28)7-8-24(27)29/h3-6,13-14,16H,7-12,15H2,1-2H3
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n/an/a 187n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200712
PNG
(CHEMBL3930680)
Show SMILES COc1cc(CN(Cc2cccnc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C30H33N3O5/c1-21(24-6-8-26-25(17-24)11-14-37-26)32(20-23-4-3-12-31-18-23)19-22-5-7-27(28(16-22)36-2)38-15-13-33-29(34)9-10-30(33)35/h3-8,12,16-18,21H,9-11,13-15,19-20H2,1-2H3
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n/an/a 190n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166452
PNG
(US9073853, 11)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,wD:17.17,11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)|
Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22-,26-/m1/s1
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n/an/a 200n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200680
PNG
(CHEMBL3922847)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CN(C)C1=O
Show InChI InChI=1S/C25H31N3O5/c1-17(19-6-8-21-20(14-19)9-11-32-21)26(2)15-18-5-7-22(23(13-18)31-4)33-12-10-28-24(29)16-27(3)25(28)30/h5-8,13-14,17H,9-12,15-16H2,1-4H3
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n/an/a 202n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200698
PNG
(CHEMBL3908023)
Show SMILES COc1cc(CN(CC(C)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H32N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,19H,8-13,16-17H2,1-3H3
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n/an/a 202n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200690
PNG
(CHEMBL3986823)
Show SMILES COc1cc(CN(CCCC(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H34N2O7/c1-19(21-6-8-23-22(17-21)11-14-36-23)29(12-3-4-28(33)34)18-20-5-7-24(25(16-20)35-2)37-15-13-30-26(31)9-10-27(30)32/h5-8,16-17,19H,3-4,9-15,18H2,1-2H3,(H,33,34)
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n/an/a 210n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200697
PNG
(CHEMBL3893919)
Show SMILES COc1cc(CN(CC23CCC(CC2)(CC3)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C34H42N2O7/c1-23(25-4-6-27-26(20-25)9-17-42-27)35(22-33-10-13-34(14-11-33,15-12-33)32(39)40)21-24-3-5-28(29(19-24)41-2)43-18-16-36-30(37)7-8-31(36)38/h3-6,19-20,23H,7-18,21-22H2,1-2H3,(H,39,40)
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n/an/a 225n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200669
PNG
(CHEMBL3978640)
Show SMILES CC(N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C25H30N2O4/c1-17-14-19(4-6-22(17)31-13-11-27-24(28)8-9-25(27)29)16-26(3)18(2)20-5-7-23-21(15-20)10-12-30-23/h4-7,14-15,18H,8-13,16H2,1-3H3
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n/an/a 230n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200709
PNG
(CHEMBL3959273)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CNC1=O
Show InChI InChI=1S/C24H29N3O5/c1-16(18-5-7-20-19(13-18)8-10-31-20)26(2)15-17-4-6-21(22(12-17)30-3)32-11-9-27-23(28)14-25-24(27)29/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,25,29)
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n/an/a 240n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200671
PNG
(CHEMBL3904315)
Show SMILES COc1cc(CNCc2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C23H26N2O5/c1-28-21-13-17(15-24-14-16-2-4-19-18(12-16)8-10-29-19)3-5-20(21)30-11-9-25-22(26)6-7-23(25)27/h2-5,12-13,24H,6-11,14-15H2,1H3
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n/an/a 290n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200684
PNG
(CHEMBL3906526)
Show SMILES COc1cc(CN(C)C(CC(C)C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H36N2O5/c1-19(2)15-23(21-6-8-24-22(17-21)11-13-34-24)29(3)18-20-5-7-25(26(16-20)33-4)35-14-12-30-27(31)9-10-28(30)32/h5-8,16-17,19,23H,9-15,18H2,1-4H3
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n/an/a 330n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200672
PNG
(CHEMBL3901143)
Show SMILES COc1cc(CN(Cc2ccc3OCCc3c2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C33H36N2O6/c1-22(25-5-8-29-27(19-25)12-15-40-29)34(20-23-3-6-28-26(17-23)11-14-39-28)21-24-4-7-30(31(18-24)38-2)41-16-13-35-32(36)9-10-33(35)37/h3-8,17-19,22H,9-16,20-21H2,1-2H3
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n/an/a 340n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200701
PNG
(CHEMBL3952475)
Show SMILES COc1cc(CN(Cc2ccc(cc2)C(O)=O)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C30H31ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h3-12,17,20H,13-16,18-19H2,1-2H3,(H,36,37)/t20-/m1/s1
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n/an/a 345n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200676
PNG
(CHEMBL3962863)
Show SMILES COc1cc(CN(CCCC(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C32H40N2O7/c1-39-28-19-22(8-10-27(28)41-18-16-34-29(35)12-13-30(34)36)21-33(15-4-7-31(37)38)32(23-5-2-3-6-23)25-9-11-26-24(20-25)14-17-40-26/h8-11,19-20,23,32H,2-7,12-18,21H2,1H3,(H,37,38)
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n/an/a 382n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200679
PNG
(CHEMBL3916901)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3
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n/an/a 403n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200681
PNG
(CHEMBL3949577)
Show SMILES COc1cc(CN(C)C(C)c2ccc3OCCc3c2)ccc1NCCN1C(=O)CCC1=O
Show InChI InChI=1S/C25H31N3O4/c1-17(19-5-7-22-20(15-19)10-13-32-22)27(2)16-18-4-6-21(23(14-18)31-3)26-11-12-28-24(29)8-9-25(28)30/h4-7,14-15,17,26H,8-13,16H2,1-3H3
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n/an/a 443n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200674
PNG
(CHEMBL3981384)
Show SMILES COc1cc(CNC(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C24H28N2O5/c1-16(18-4-6-20-19(14-18)9-11-30-20)25-15-17-3-5-21(22(13-17)29-2)31-12-10-26-23(27)7-8-24(26)28/h3-6,13-14,16,25H,7-12,15H2,1-2H3
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n/an/a 607n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166443
PNG
(US9073853, 2)
Show SMILES COc1cc(CN(C[C@H]2CC[C@H](CC2)C(O)=O)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,11.14,(5.33,-2.54,;4,-3.31,;2.67,-2.54,;1.33,-3.31,;,-2.54,;-1.33,-3.31,;-2.67,-2.54,;-2.67,-1,;-1.58,.09,;-1.98,1.58,;-.89,2.67,;.6,2.27,;1,.78,;-.09,-.31,;1.69,3.36,;1.29,4.85,;3.18,2.96,;-4,-3.31,;-4,-4.85,;-5.33,-2.54,;-5.33,-1,;-6.67,-.23,;-8,-1,;-9.47,-.52,;-10.37,-1.77,;-9.47,-3.01,;-8,-2.54,;-6.67,-3.31,;,-1,;1.33,-.23,;2.67,-1,;4,-.23,;5.33,-1,;6.67,-.23,;8,-1,;9.47,-.52,;10.24,.81,;10.37,-1.77,;9.47,-3.01,;8,-2.54,;6.67,-3.31,)|
Show InChI InChI=1S/C32H40N2O7/c1-21(25-8-10-27-26(18-25)13-15-40-27)33(19-22-3-6-24(7-4-22)32(37)38)20-23-5-9-28(29(17-23)39-2)41-16-14-34-30(35)11-12-31(34)36/h5,8-10,17-18,21-22,24H,3-4,6-7,11-16,19-20H2,1-2H3,(H,37,38)/t21?,22-,24+
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n/an/a 760n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200685
PNG
(CHEMBL3965887)
Show SMILES COc1cc(CNC(C)(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C25H30N2O5/c1-25(2,19-5-7-20-18(15-19)10-12-31-20)26-16-17-4-6-21(22(14-17)30-3)32-13-11-27-23(28)8-9-24(27)29/h4-7,14-15,26H,8-13,16H2,1-3H3
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n/an/a 780n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200695
PNG
(CHEMBL3947168)
Show SMILES COc1cc(CN(C)[C@H](C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O |r|
Show InChI InChI=1S/C25H30N2O5/c1-17(19-5-7-21-20(15-19)10-12-31-21)26(2)16-18-4-6-22(23(14-18)30-3)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,17H,8-13,16H2,1-3H3/t17-/m1/s1
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n/an/a 790n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200694
PNG
(CHEMBL3932217)
Show SMILES COC(=O)[C@H]1CC[C@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H]2CCc3cc(Cl)ccc23)CC1 |r,wU:29.30,7.7,wD:4.3,(37.37,-23.54,;35.95,-24.26,;35.95,-25.8,;37.26,-26.62,;34.59,-26.52,;33.29,-25.71,;31.88,-26.43,;31.88,-27.97,;30.47,-28.69,;30.47,-30.23,;31.73,-31.04,;31.73,-32.58,;30.37,-33.31,;30.37,-34.85,;31.64,-35.66,;31.64,-37.2,;32.9,-38.01,;32.9,-39.55,;34.13,-40.41,;35.58,-39.87,;36,-38.39,;36.53,-41.09,;35.67,-42.36,;34.13,-41.94,;32.98,-42.89,;33,-34.92,;34.31,-35.73,;34.31,-37.27,;33,-33.39,;29.12,-30.96,;29.12,-32.51,;27.59,-32.96,;26.71,-31.68,;25.17,-31.46,;24.59,-30.03,;23.07,-29.81,;25.55,-28.81,;27.07,-29.02,;27.65,-30.44,;33.19,-28.78,;34.59,-28.06,)|
Show InChI InChI=1S/C32H39ClN2O6/c1-39-29-17-22(5-12-28(29)41-16-15-35-30(36)13-14-31(35)37)20-34(19-21-3-6-23(7-4-21)32(38)40-2)27-11-8-24-18-25(33)9-10-26(24)27/h5,9-10,12,17-18,21,23,27H,3-4,6-8,11,13-16,19-20H2,1-2H3/t21-,23-,27-/m0/s1
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n/an/a 840n/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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166486
PNG
(US9073853, 45)
Show SMILES COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1CCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)|
Show InChI InChI=1S/C32H39ClN2O5/c1-40-29-17-22(6-7-23(29)3-2-16-35-30(36)14-15-31(35)37)20-34(19-21-4-8-24(9-5-21)32(38)39)28-13-10-25-18-26(33)11-12-27(25)28/h6-7,11-12,17-18,21,24,28H,2-5,8-10,13-16,19-20H2,1H3,(H,38,39)/t21-,24-,28-/m0/s1
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n/an/a 1.00E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200686
PNG
(CHEMBL3936007)
Show SMILES CCC(NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C25H30N2O5/c1-3-20(18-5-7-21-19(15-18)10-12-31-21)26-16-17-4-6-22(23(14-17)30-2)32-13-11-27-24(28)8-9-25(27)29/h4-7,14-15,20,26H,3,8-13,16H2,1-2H3
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n/an/a 1.06E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200675
PNG
(CHEMBL3938584)
Show SMILES CCCC(NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2OCCc2c1
Show InChI InChI=1S/C26H32N2O5/c1-3-4-21(19-6-8-22-20(16-19)11-13-32-22)27-17-18-5-7-23(24(15-18)31-2)33-14-12-28-25(29)9-10-26(28)30/h5-8,15-16,21,27H,3-4,9-14,17H2,1-2H3
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n/an/a 1.20E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM166454
PNG
(US9073853, 13)
Show SMILES COc1cc(CN(C[C@H]2CC[C@H](CC2)C(O)=O)C2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O |r,wU:8.7,11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;3,3.2,;1.11,5.08,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;9.29,-.28,;10.06,1.05,;10.19,-1.53,;9.29,-2.77,;7.82,-2.3,;6.49,-3.07,)|
Show InChI InChI=1S/C31H37ClN2O6/c1-39-28-16-21(4-11-27(28)40-15-14-34-29(35)12-13-30(34)36)19-33(18-20-2-5-22(6-3-20)31(37)38)26-10-7-23-17-24(32)8-9-25(23)26/h4,8-9,11,16-17,20,22,26H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t20-,22+,26?
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n/an/a 1.66E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200696
PNG
(CHEMBL3968142)
Show SMILES COc1cc(CNC(CC(C)C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C27H34N2O5/c1-18(2)14-22(20-5-7-23-21(16-20)10-12-33-23)28-17-19-4-6-24(25(15-19)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,15-16,18,22,28H,8-14,17H2,1-3H3
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n/an/a 1.80E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200688
PNG
(CHEMBL3929553)
Show SMILES COc1cc(CN(CCN)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C26H33N3O5/c1-18(20-4-6-22-21(16-20)9-13-33-22)28(11-10-27)17-19-3-5-23(24(15-19)32-2)34-14-12-29-25(30)7-8-26(29)31/h3-6,15-16,18H,7-14,17,27H2,1-2H3
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n/an/a 2.20E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200711
PNG
(CHEMBL3947375)
Show SMILES COc1cc(CNC(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C28H34N2O5/c1-33-25-16-19(6-8-24(25)35-15-13-30-26(31)10-11-27(30)32)18-29-28(20-4-2-3-5-20)22-7-9-23-21(17-22)12-14-34-23/h6-9,16-17,20,28-29H,2-5,10-15,18H2,1H3
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n/an/a 3.26E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50200707
PNG
(CHEMBL3900040)
Show SMILES COc1cc(CN(Cc2ccc(cc2)C(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show InChI InChI=1S/C36H40N2O7/c1-43-32-20-25(8-12-31(32)45-19-17-38-33(39)14-15-34(38)40)23-37(22-24-6-9-27(10-7-24)36(41)42)35(26-4-2-3-5-26)29-11-13-30-28(21-29)16-18-44-30/h6-13,20-21,26,35H,2-5,14-19,22-23H2,1H3,(H,41,42)
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n/an/a 4.20E+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: 5418-5428 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.035
BindingDB Entry DOI: 10.7270/Q28S4RW9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%