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Compile Data Set for Download or QSAR

Found 506 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 4'   
Target
(Institution)
LigandTarget
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))
BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
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-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect on calcium mobilization


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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 membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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


(Homo sapiens (Human))
BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
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-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4


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


(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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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Calcium mobilization mediated by CCR4 receptor in CEMS529 cells by FLIPR


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50244050
PNG
(C-014C | CHEMBL509396 | N-Cycloheptyl-2-[4-(cyclop...)
Show SMILES COc1cc2nc(NC3CCCC3)nc(NC3CCCCCC3)c2cc1OC
Show InChI InChI=1S/C22H32N4O2/c1-27-19-13-17-18(14-20(19)28-2)25-22(24-16-11-7-8-12-16)26-21(17)23-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H2,23,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50244126
PNG
(CHEMBL459464 | N-cycloheptyl-7-methoxy-2-(4-(pyrro...)
Show SMILES COc1ccc2c(NC3CCCCCC3)nc(nc2c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50183119
PNG
(4-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C29H30F3N3S/c30-29(31,32)26-15-7-5-12-23(26)18-35(17-21-9-2-1-3-10-21)19-24-20-36-28(33-24)34-27-16-8-13-22-11-4-6-14-25(22)27/h4-8,11-16,20-21H,1-3,9-10,17-19H2,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50244083
PNG
(CHEMBL451783 | N-cycloheptyl-2-(4-(cyclopentyl(met...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N(C)C1CCCC1
Show InChI InChI=1S/C28H43N5O2/c1-32(21-12-8-9-13-21)22-14-16-33(17-15-22)28-30-24-19-26(35-3)25(34-2)18-23(24)27(31-28)29-20-10-6-4-5-7-11-20/h18-22H,4-17H2,1-3H3,(H,29,30,31)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


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


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


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


(Mus musculus)
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50265669
PNG
((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50244380
PNG
(CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


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


(Homo sapiens (Human))
BDBM50198429
PNG
((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...)
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-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50307035
PNG
(5,7-Dihydroxy-4-methyl-3-(4-methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
Show InChI InChI=1S/C15H18N2O4/c1-9-13-11(19)7-10(18)8-12(13)21-15(20)14(9)17-5-3-16(2)4-6-17/h7-8,18-19H,3-6H2,1-2H3
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n/an/a 21.2n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50265669
PNG
((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(Homo sapiens (Human))
BDBM50245036
PNG
(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
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n/an/a 24n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50245036
PNG
(CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
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n/an/a 24n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


Citation and Details
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


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


(Homo sapiens (Human))
BDBM50245034
PNG
(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
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n/an/a 25n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50265742
PNG
(CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


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


(Homo sapiens (Human))
BDBM50244125
PNG
(CHEMBL516936 | N-cycloheptyl-6-methoxy-2-(4-(pyrro...)
Show SMILES COc1ccc2nc(nc(NC3CCCCCC3)c2c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O/c1-31-21-10-11-23-22(18-21)24(26-19-8-4-2-3-5-9-19)28-25(27-23)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
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n/an/a 31n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50245069
PNG
(CHEMBL487835 | N-(4-Fluorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H30FN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)
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n/an/a 31n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 31n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from CCR4 expressed in human CEM cell line


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50243946
PNG
(CHEMBL453594 | N-cycloheptyl-2-(4-(4-fluoropiperid...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCC(F)CC1
Show InChI InChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)
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n/an/a 32n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Citation and Details
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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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


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


(Homo sapiens (Human))
BDBM50183102
PNG
(CHEMBL205279 | N-(4-tert-butylthiazol-2-yl)-1-meth...)
Show SMILES Cn1ccc2c(Nc3nc(cs3)C(C)(C)C)cccc12
Show InChI InChI=1S/C16H19N3S/c1-16(2,3)14-10-20-15(18-14)17-12-6-5-7-13-11(12)8-9-19(13)4/h5-10H,1-4H3,(H,17,18)
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n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


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


(Mus musculus)
BDBM50243945
PNG
(2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
KEGG

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n/an/a 39n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(Homo sapiens (Human))
BDBM50245071
PNG
(3-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCCO
Show InChI InChI=1S/C25H32ClN5O3/c1-30(11-4-14-32)19-9-12-31(13-10-19)25-28-21-16-23(34-3)22(33-2)15-20(21)24(29-25)27-18-7-5-17(26)6-8-18/h5-8,15-16,19,32H,4,9-14H2,1-3H3,(H,27,28,29)
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n/an/a 43n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay


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


(Homo sapiens (Human))
BDBM50183117
PNG
(4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thi...)
Show SMILES CC(C)CN(CC(C)C)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24)
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n/an/a 45n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Citation and Details
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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n/an/a 47.9n/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


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


(Homo sapiens (Human))
BDBM50265667
PNG
(1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazo...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(O)C1
Show InChI InChI=1S/C26H32ClN5O3/c1-34-23-14-21-22(15-24(23)35-2)29-26(30-25(21)28-18-7-5-17(27)6-8-18)31-12-9-19(10-13-31)32-11-3-4-20(33)16-32/h5-8,14-15,19-20,33H,3-4,9-13,16H2,1-2H3,(H,28,29,30)
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n/an/a 48n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(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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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells


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


(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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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 receptor transfected in HEK293 cells


Citation and Details
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


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


(Homo sapiens (Human))
BDBM50265670
PNG
(CHEMBL526474 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...)
Show SMILES COCC1CCCN(C1)C1CCN(CC1)c1nc(Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C28H36ClN5O3/c1-35-18-19-5-4-12-34(17-19)22-10-13-33(14-11-22)28-31-24-16-26(37-3)25(36-2)15-23(24)27(32-28)30-21-8-6-20(29)7-9-21/h6-9,15-16,19,22H,4-5,10-14,17-18H2,1-3H3,(H,30,31,32)
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n/an/a 52n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding


Citation and Details
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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n/an/a 55.0n/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


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


(Mus musculus)
BDBM50265669
PNG
((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)
KEGG

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n/an/a 58n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis


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


(Homo sapiens (Human))
BDBM50175661
PNG
((R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)[C@H]2CCCN2)c(Cl)c1
Show InChI InChI=1S/C20H24Cl2N6O/c21-15-4-3-14(16(22)12-15)13-25-18-5-7-24-20(26-18)28-10-8-27(9-11-28)19(29)17-2-1-6-23-17/h3-5,7,12,17,23H,1-2,6,8-11,13H2,(H,24,25,26)/t17-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 receptor transfected in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
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