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Compile Data Set for Download or QSAR

Found 102 hits of ki data for polymerid = 7517   
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-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380881
PNG
(CHEMBL2018953)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500893
PNG
(CHEMBL3797662)
Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(CC3CCCN3)C2)CC1
Show InChI InChI=1S/C25H34Cl2N6/c1-31(16-19-4-5-20(26)15-22(19)27)23-6-11-29-24(30-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-18H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500901
PNG
(CHEMBL3799266)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50175665
PNG
((R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N6O/c22-16-5-4-15(17(23)13-16)14-26-19-6-8-25-21(27-19)29-11-9-28(10-12-29)20(30)18-3-1-2-7-24-18/h4-6,8,13,18,24H,1-3,7,9-12,14H2,(H,25,26,27)/t18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500908
PNG
(CHEMBL3797537)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H34Cl2N6/c26-20-5-4-19(22(27)15-20)16-30-23-6-11-29-24(31-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-18H2,(H,29,30,31)
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380884
PNG
(CHEMBL2018954)
Show SMILES COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C
Show InChI InChI=1S/C23H27BrN4O5S/c1-16-5-8-18(9-6-16)34(29,30)27-22-23(26-21(24)14-25-22)33-15-17-7-10-19(31-4)20(13-17)32-12-11-28(2)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500894
PNG
(CHEMBL3799578)
Show SMILES Fc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(F)c1
Show InChI InChI=1S/C24H32F2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50380884
PNG
(CHEMBL2018954)
Show SMILES COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C
Show InChI InChI=1S/C23H27BrN4O5S/c1-16-5-8-18(9-6-16)34(29,30)27-22-23(26-21(24)14-25-22)33-15-17-7-10-19(31-4)20(13-17)32-12-11-28(2)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500902
PNG
(CHEMBL3798452)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C[C@@H]4CCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)/t20-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500896
PNG
(CHEMBL3799393)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C[C@H]4CCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)/t20-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380879
PNG
(CHEMBL2018968)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C23H23ClN4O5S2/c1-14(29)23(30)25-12-15-5-3-6-16(11-15)13-28-17-7-4-8-18(33-2)21(17)22(26-28)27-35(31,32)20-10-9-19(24)34-20/h3-11,14,29H,12-13H2,1-2H3,(H,25,30)(H,26,27)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50398341
PNG
(CHEMBL2178575)
Show SMILES COc1cccc2n(Cc3cccc(NC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C21H19ClN4O5S2/c1-31-16-7-3-6-15-20(16)21(25-33(29,30)19-9-8-17(22)32-19)24-26(15)11-13-4-2-5-14(10-13)23-18(28)12-27/h2-10,27H,11-12H2,1H3,(H,23,28)(H,24,25)
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10n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CCR4


J Med Chem 55: 9363-92 (2012)


Article DOI: 10.1021/jm300682j
BindingDB Entry DOI: 10.7270/Q2862HKR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380880
PNG
(CHEMBL2018969)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380867
PNG
(CHEMBL2018964)
Show SMILES COc1cccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(28)24-12-15-5-3-6-16(11-15)13-27-17-7-4-8-18(31-2)21(17)22(25-27)26-33(29,30)20-10-9-19(23)32-20/h3-11H,12-13H2,1-2H3,(H,24,28)(H,25,26)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380866
PNG
(CHEMBL2018967)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H21ClN4O5S2/c1-32-17-7-3-6-16-21(17)22(26-34(30,31)20-9-8-18(23)33-20)25-27(16)12-15-5-2-4-14(10-15)11-24-19(29)13-28/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500910
PNG
(CHEMBL3799025)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@H]3CCCN3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m1/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380872
PNG
(CHEMBL2018959)
Show SMILES COc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)cc1OC
Show InChI InChI=1S/C21H20ClN3O5S2/c1-28-15-8-7-13(11-17(15)30-3)12-25-14-5-4-6-16(29-2)20(14)21(23-25)24-32(26,27)19-10-9-18(22)31-19/h4-11H,12H2,1-3H3,(H,23,24)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500898
PNG
(CHEMBL3797567)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@@H]3CCCCN3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500903
PNG
(CHEMBL3799865)
Show SMILES Fc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCN3)CC2)c(F)c1
Show InChI InChI=1S/C24H30F2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500906
PNG
(CHEMBL3798263)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCN3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500909
PNG
(CHEMBL3799514)
Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(C2)C(=O)C2CCCN2)CC1
Show InChI InChI=1S/C25H32Cl2N6O/c1-31(16-18-4-5-19(26)15-20(18)27)22-6-11-29-24(30-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-17H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500907
PNG
(CHEMBL3797980)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@H]3CCCCN3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m1/s1
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380882
PNG
(CHEMBL2018951)
Show SMILES COc1cccc2n(Cc3cccc(CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-7-3-6-15-19(16)20(23-30(26,27)18-9-8-17(21)29-18)22-24(15)11-13-4-2-5-14(10-13)12-25/h2-10,25H,11-12H2,1H3,(H,22,23)
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380876
PNG
(CHEMBL2018952)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=O)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H17ClN4O4S2/c1-29-15-7-3-6-14-18(15)20(24-31(27,28)17-9-8-16(21)30-17)23-25(14)11-12-4-2-5-13(10-12)19(22)26/h2-10H,11H2,1H3,(H2,22,26)(H,23,24)
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500899
PNG
(CHEMBL3798941)
Show SMILES OC(=O)C(F)(F)F.Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCNC3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N6O.C2HF3O2/c25-19-2-1-17(20(26)13-19)15-29-21-4-9-28-23(30-21)31-10-5-24(6-11-31)7-12-32(16-24)22(33)18-3-8-27-14-18;3-2(4,5)1(6)7/h1-2,4,9,13,18,27H,3,5-8,10-12,14-16H2,(H,28,29,30);(H,6,7)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500900
PNG
(CHEMBL3798949)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCNC3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N6O/c26-20-4-3-18(21(27)14-20)16-30-22-5-10-29-24(31-22)32-11-6-25(7-12-32)8-13-33(17-25)23(34)19-2-1-9-28-15-19/h3-5,10,14,19,28H,1-2,6-9,11-13,15-17H2,(H,29,30,31)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380874
PNG
(CHEMBL2016602)
Show SMILES COc1cccc2n(Cc3ccc(CO)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-4-2-3-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-7-14(12-25)8-6-13/h2-10,25H,11-12H2,1H3,(H,22,23)
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500905
PNG
(CHEMBL3798539)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)c3ccccn3)CC2)c(Cl)c1
Show InChI InChI=1S/C25H26Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h1-6,10-11,15H,7-9,12-14,16-17H2,(H,29,30,31)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380875
PNG
(CHEMBL2018961)
Show SMILES COc1cccc2n(Cc3cccc(CN)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H19ClN4O3S2/c1-28-16-7-3-6-15-19(16)20(24-30(26,27)18-9-8-17(21)29-18)23-25(15)12-14-5-2-4-13(10-14)11-22/h2-10H,11-12,22H2,1H3,(H,23,24)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500897
PNG
(CHEMBL3799904)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@@H]3CCCN3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m0/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380870
PNG
(CHEMBL2018957)
Show SMILES COc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)c1
Show InChI InChI=1S/C20H18ClN3O4S2/c1-27-14-6-3-5-13(11-14)12-24-15-7-4-8-16(28-2)19(15)20(22-24)23-30(25,26)18-10-9-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500912
PNG
(CHEMBL3797946)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCC(=O)N1CCC2(C1)CCN(CC2)c1nccc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H28Cl2N6O/c1-25-14-20(31)30-11-7-22(15-30)5-9-29(10-6-22)21-26-8-4-19(28-21)27-13-16-2-3-17(23)12-18(16)24/h2-4,8,12,25H,5-7,9-11,13-15H2,1H3,(H,26,27,28)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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150n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of mouse MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380869
PNG
(CHEMBL2018956)
Show SMILES COc1ccccc1Cn1nc(NS(=O)(=O)c2ccc(Cl)s2)c2c(OC)cccc12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-27-15-8-4-3-6-13(15)12-24-14-7-5-9-16(28-2)19(14)20(22-24)23-30(25,26)18-11-10-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50401547
PNG
(CHEMBL2207098)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1
Show InChI InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR4 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380878
PNG
(CHEMBL2018966)
Show SMILES COc1cccc2n(Cc3ccc(CNC(C)=O)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(28)24-12-15-6-8-16(9-7-15)13-27-17-4-3-5-18(31-2)21(17)22(25-27)26-33(29,30)20-11-10-19(23)32-20/h3-11H,12-13H2,1-2H3,(H,24,28)(H,25,26)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209278
PNG
((S)-N-(1-(2-carbamoylphenethyl)piperidin-4-yl)-1-(...)
Show SMILES CN(C1CCN(CCc2ccccc2C(N)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H35ClN4O4S/c1-33(23-14-18-34(19-15-23)17-13-21-6-2-3-8-26(21)29(32)36)30(37)28-10-5-16-35(28)40(38,39)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3,(H2,32,36)/t28-/m0/s1
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240n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380868
PNG
(CHEMBL2018955)
Show SMILES COc1cccc2n(Cc3ccccc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C19H16ClN3O3S2/c1-26-15-9-5-8-14-18(15)19(21-23(14)12-13-6-3-2-4-7-13)22-28(24,25)17-11-10-16(20)27-17/h2-11H,12H2,1H3,(H,21,22)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380871
PNG
(CHEMBL2018958)
Show SMILES COc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)cc1
Show InChI InChI=1S/C20H18ClN3O4S2/c1-27-14-8-6-13(7-9-14)12-24-15-4-3-5-16(28-2)19(15)20(22-24)23-30(25,26)18-11-10-17(21)29-18/h3-11H,12H2,1-2H3,(H,22,23)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380873
PNG
(CHEMBL2018960)
Show SMILES COc1cccc2n(Cc3ccccc3CO)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-8-4-7-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-2-3-6-14(13)12-25/h2-10,25H,11-12H2,1H3,(H,22,23)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209261
PNG
((S)-N-(1-(2-fluorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33ClFN3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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260n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209251
PNG
((S)-N-(1-(2-aminophenethyl)piperidin-4-yl)-1-(5-ch...)
Show SMILES CN(C1CCN(CCc2ccccc2N)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H35ClN4O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19,31H2,1H3/t28-/m0/s1
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280n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500904
PNG
(CHEMBL3797678)
Show SMILES Cl.Cl.Clc1ccc(CNc2ccnc(n2)N2CCC3(CCNC3)CC2)c(Cl)c1
Show InChI InChI=1S/C19H23Cl2N5/c20-15-2-1-14(16(21)11-15)12-24-17-3-7-23-18(25-17)26-9-5-19(6-10-26)4-8-22-13-19/h1-3,7,11,22H,4-6,8-10,12-13H2,(H,23,24,25)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380877
PNG
(CHEMBL2018962)
Show SMILES CNC(=O)c1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)c1
Show InChI InChI=1S/C21H19ClN4O4S2/c1-23-21(27)14-6-3-5-13(11-14)12-26-15-7-4-8-16(30-2)19(15)20(24-26)25-32(28,29)18-10-9-17(22)31-18/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA


Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50401548
PNG
(CHEMBL2207094)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1
Show InChI InChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR4 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50401549
PNG
(CHEMBL2207081)
Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR4 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50416304
PNG
(CHEMBL1171786)
Show SMILES OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3NO5S/c20-11-5-8-18(28-17-4-2-1-3-13(17)19(24)25)16(9-11)23-29(26,27)12-6-7-14(21)15(22)10-12/h1-10,23H,(H,24,25)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4


Bioorg Med Chem Lett 20: 3961-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.142
BindingDB Entry DOI: 10.7270/Q2B56KZ9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209257
PNG
((S)-N-(1-(3-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2cccc(Cl)c2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-13-17-33(18-14-24)16-12-21-5-2-7-23(30)19-21)29(35)28-9-4-15-34(28)38(36,37)25-10-11-26-22(20-25)6-3-8-27(26)31/h2-3,5-8,10-11,19-20,24,28H,4,9,12-18H2,1H3/t28-/m0/s1
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400n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50209279
PNG
((S)-N-(1-(2-(trifluoromethyl)phenethyl)piperidin-4...)
Show SMILES CN(C1CCN(CCc2ccccc2C(F)(F)F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H33ClF3N3O3S/c1-35(23-14-18-36(19-15-23)17-13-21-6-2-3-8-26(21)30(32,33)34)29(38)28-10-5-16-37(28)41(39,40)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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420n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
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