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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'hall' and Initial = 'da'   
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


(Homo sapiens (Human))
BDBM50380881
PNG
(CHEMBL2018953)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 |r|
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
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 Medicines Research Centre

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))
BDBM50380885
PNG
(CHEMBL2018963)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(=O)N(C)C)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H21ClN4O4S2/c1-26(2)22(28)15-7-4-6-14(12-15)13-27-16-8-5-9-17(31-3)20(16)21(24-27)25-33(29,30)19-11-10-18(23)32-19/h4-12H,13H2,1-3H3,(H,24,25)
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

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))
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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n/an/a 3.89n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
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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n/an/a 3.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50380881
PNG
(CHEMBL2018953)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 |r|
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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n/an/a 5.5n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50380881
PNG
(CHEMBL2018953)
Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 |r|
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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n/an/a 5.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490515
PNG
(CHEMBL2326611)
Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(CO)cccc23)c1
Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(29)24-11-15-4-2-5-16(10-15)12-27-18-7-3-6-17(13-28)21(18)22(25-27)26-33(30,31)20-9-8-19(23)32-20/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490519
PNG
(CHEMBL2326625)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490519
PNG
(CHEMBL2326625)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50490500
PNG
(CHEMBL2321924)
Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc23)c1
Show InChI InChI=1S/C21H19ClN4O4S2/c1-13(27)23-11-14-4-2-5-15(10-14)12-26-16-6-3-7-17(28)20(16)21(24-26)25-32(29,30)19-9-8-18(22)31-19/h2-10,28H,11-12H2,1H3,(H,23,27)(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490524
PNG
(CHEMBL2326630)
Show SMILES COc1c(F)ccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(10-14)12-28-17-7-6-16(24)21(32-2)20(17)22(26-28)27-34(30,31)19-9-8-18(23)33-19/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 14.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50490506
PNG
(CHEMBL2326633)
Show SMILES COc1cc(F)cc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(9-14)13-30-17-10-16(26)11-18(35-3)21(17)22(28-30)29-37(33,34)20-8-7-19(25)36-20/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490512
PNG
(CHEMBL2326621)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)N)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490531
PNG
(CHEMBL2326622)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@@H]4CCCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r|
Show InChI InChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490520
PNG
(CHEMBL2326620)
Show SMILES CN[C@H](C)C(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc23)c1 |r|
Show InChI InChI=1S/C24H26ClN5O4S2/c1-15(26-2)24(31)27-13-16-6-4-7-17(12-16)14-30-18-8-5-9-19(34-3)22(18)23(28-30)29-36(32,33)21-11-10-20(25)35-21/h4-12,15,26H,13-14H2,1-3H3,(H,27,31)(H,28,29)/t15-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490530
PNG
(CHEMBL2326926)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(C)c(F)c3)c12
Show InChI InChI=1S/C27H29FN4O5S/c1-17-11-12-20(14-21(17)28)38(35,36)31-25-24-22(9-6-10-23(24)37-4)32(30-25)16-19-8-5-7-18(13-19)15-29-26(33)27(2,3)34/h5-14,34H,15-16H2,1-4H3,(H,29,33)(H,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490511
PNG
(CHEMBL2326624)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@@H]4COCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r|
Show InChI InChI=1S/C25H26ClN5O5S2/c1-35-20-7-3-6-19-23(20)24(30-38(33,34)22-9-8-21(26)37-22)29-31(19)14-17-5-2-4-16(12-17)13-28-25(32)18-15-36-11-10-27-18/h2-9,12,18,27H,10-11,13-15H2,1H3,(H,28,32)(H,29,30)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490522
PNG
(CHEMBL2326616)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COC4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C24H23ClN4O5S2/c1-33-19-7-3-6-18-22(19)23(28-36(31,32)21-9-8-20(25)35-21)27-29(18)12-16-5-2-4-15(10-16)11-26-24(30)17-13-34-14-17/h2-10,17H,11-14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490518
PNG
(CHEMBL2326613)
Show SMILES CC(O)c1cccc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C23H23ClN4O4S2/c1-14(29)18-7-4-8-19-22(18)23(27-34(31,32)21-10-9-20(24)33-21)26-28(19)13-17-6-3-5-16(11-17)12-25-15(2)30/h3-11,14,29H,12-13H2,1-2H3,(H,25,30)(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 22.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50490517
PNG
(CHEMBL2326623)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)[C@H]4COCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 |r|
Show InChI InChI=1S/C25H26ClN5O5S2/c1-35-20-7-3-6-19-23(20)24(30-38(33,34)22-9-8-21(26)37-22)29-31(19)14-17-5-2-4-16(12-17)13-28-25(32)18-15-36-11-10-27-18/h2-9,12,18,27H,10-11,13-15H2,1H3,(H,28,32)(H,29,30)/t18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 27.5n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
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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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50490502
PNG
(CHEMBL2326608)
Show SMILES CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(Cl)cccc23)c1
Show InChI InChI=1S/C21H18Cl2N4O3S2/c1-13(28)24-11-14-4-2-5-15(10-14)12-27-17-7-3-6-16(22)20(17)21(25-27)26-32(29,30)19-9-8-18(23)31-19/h2-10H,11-12H2,1H3,(H,24,28)(H,25,26)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490525
PNG
(CHEMBL2326619)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCOCC4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C26H27ClN4O5S2/c1-35-21-7-3-6-20-24(21)25(30-38(33,34)23-9-8-22(27)37-23)29-31(20)16-18-5-2-4-17(14-18)15-28-26(32)19-10-12-36-13-11-19/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490529
PNG
(CHEMBL2326617)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCO4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C24H23ClN4O5S2/c1-33-18-7-3-6-17-22(18)23(28-36(31,32)21-9-8-20(25)35-21)27-29(17)14-16-5-2-4-15(12-16)13-26-24(30)19-10-11-34-19/h2-9,12,19H,10-11,13-14H2,1H3,(H,26,30)(H,27,28)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 32.4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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))
BDBM50490513
PNG
(CHEMBL2326618)
Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4CCCO4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C25H25ClN4O5S2/c1-34-19-8-3-7-18-23(19)24(29-37(32,33)22-11-10-21(26)36-22)28-30(18)15-17-6-2-5-16(13-17)14-27-25(31)20-9-4-12-35-20/h2-3,5-8,10-11,13,20H,4,9,12,14-15H2,1H3,(H,27,31)(H,28,29)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50490516
PNG
(CHEMBL2326632)
Show SMILES COc1cc(F)cc2n(Cc3cccc(CNC(C)=O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H20ClFN4O4S2/c1-13(29)25-11-14-4-3-5-15(8-14)12-28-17-9-16(24)10-18(32-2)21(17)22(26-28)27-34(30,31)20-7-6-19(23)33-20/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


J Med Chem 56: 1946-60 (2013)


Article DOI: 10.1021/jm301572h
BindingDB Entry DOI: 10.7270/Q26W9F07
More data for this
Ligand-Target Pair
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