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PubMed code 24909677

Compile data set for download or QSAR
Found 19 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-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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n/an/a 3.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
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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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 cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045299
PNG
(CHEMBL3310839)
Show SMILES COc1cc2[nH]c(=O)[nH]c2nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl2N4O4S/c1-23-8-5-7-11(18-13(20)16-7)17-12(8)19-24(21,22)9-4-2-3-6(14)10(9)15/h2-5H,1H3,(H3,16,17,18,19,20)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045301
PNG
(CHEMBL3310841)
Show SMILES COc1nc2[nH]c(=O)[nH]c2nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H9Cl2N5O4S/c1-23-11-10(15-8-9(16-11)18-12(20)17-8)19-24(21,22)6-4-2-3-5(13)7(6)14/h2-4H,1H3,(H3,15,16,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045300
PNG
(CHEMBL3310840)
Show SMILES COc1nc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H10Cl2N4O4S/c1-23-12-8(5-7-11(17-12)18-13(20)16-7)19-24(21,22)9-4-2-3-6(14)10(9)15/h2-5,19H,1H3,(H2,16,17,18,20)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045261
PNG
(CHEMBL3310833)
Show SMILES COc1cc2n(C3COC3)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H15Cl2N3O5S/c1-26-14-6-13-11(20-17(23)22(13)9-7-27-8-9)5-12(14)21-28(24,25)15-4-2-3-10(18)16(15)19/h2-6,9,21H,7-8H2,1H3,(H,20,23)
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n/an/a 112n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045298
PNG
(CHEMBL3310838)
Show SMILES COc1cc2n(C3CN(C3)C(C)=O)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H18Cl2N4O5S/c1-10(26)24-8-11(9-24)25-15-7-16(30-2)14(6-13(15)22-19(25)27)23-31(28,29)17-5-3-4-12(20)18(17)21/h3-7,11,23H,8-9H2,1-2H3,(H,22,27)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045231
PNG
(CHEMBL3310827)
Show SMILES COc1cc2n(C)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N3O4S/c1-20-11-7-12(24-2)10(6-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045206
PNG
(CHEMBL3310826)
Show SMILES COc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H11Cl2N3O4S/c1-23-11-6-9-8(17-14(20)18-9)5-10(11)19-24(21,22)12-4-2-3-7(15)13(12)16/h2-6,19H,1H3,(H2,17,18,20)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045297
PNG
(CHEMBL3310837)
Show SMILES COc1cc2n(C3CNC3)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H16Cl2N4O4S/c1-27-14-6-13-11(21-17(24)23(13)9-7-20-8-9)5-12(14)22-28(25,26)15-4-2-3-10(18)16(15)19/h2-6,9,20,22H,7-8H2,1H3,(H,21,24)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045254
PNG
(CHEMBL3310830)
Show SMILES COc1cc2n(CC(N)=O)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O5S/c1-27-12-6-11-9(20-16(24)22(11)7-14(19)23)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24)
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n/an/a 457n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045205
PNG
(CHEMBL3310825)
Show SMILES COc1cccc2n(C)nc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
Show InChI InChI=1S/C15H13Cl2N3O3S/c1-20-10-6-4-7-11(23-2)13(10)15(18-20)19-24(21,22)12-8-3-5-9(16)14(12)17/h3-8H,1-2H3,(H,18,19)
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n/an/a 603n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045259
PNG
(CHEMBL3310832)
Show SMILES COc1cc2n(C(C)C)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N3O4S/c1-9(2)22-13-8-14(26-3)12(7-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-9,21H,1-3H3,(H,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045296
PNG
(CHEMBL3310836)
Show SMILES COc1cc2n(C(CO)CO)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N3O6S/c1-28-14-6-13-11(20-17(25)22(13)9(7-23)8-24)5-12(14)21-29(26,27)15-4-2-3-10(18)16(15)19/h2-6,9,21,23-24H,7-8H2,1H3,(H,20,25)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045241
PNG
(CHEMBL3310829)
Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H15Cl2N3O4S/c1-20-11-7-10(13(25-3)8-12(11)21(2)16(20)22)19-26(23,24)14-6-4-5-9(17)15(14)18/h4-8,19H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045295
PNG
(CHEMBL3310835)
Show SMILES COc1cc2n(CCN(C)C)c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H20Cl2N4O4S/c1-23(2)7-8-24-14-10-15(28-3)13(9-12(14)21-18(24)25)22-29(26,27)16-6-4-5-11(19)17(16)20/h4-6,9-10,22H,7-8H2,1-3H3,(H,21,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045294
PNG
(CHEMBL3310834)
Show SMILES CCCn1c2cc(OC)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2[nH]c1=O
Show InChI InChI=1S/C17H17Cl2N3O4S/c1-3-7-22-13-9-14(26-2)12(8-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-6,8-9,21H,3,7H2,1-2H3,(H,20,23)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045233
PNG
(CHEMBL3310828)
Show SMILES COc1cc2[nH]c(=O)n(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N3O4S/c1-20-11-6-10(12(24-2)7-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50045255
PNG
(CHEMBL3310831)
Show SMILES COc1cc2[nH]c(=O)n(CC(N)=O)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O5S/c1-27-12-6-9-11(22(7-14(19)23)16(24)20-9)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24)
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay


Bioorg Med Chem 22: 4298-311 (2014)


Article DOI: 10.1016/j.bmc.2014.05.021
BindingDB Entry DOI: 10.7270/Q2Z60QQG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%