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Compile Data Set for Download or QSAR

Found 732 hits of ic50 data for polymerid = 7517   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50278725
PNG
(CHEMBL4172769)
Show SMILES OCc1ccccc1COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H14Cl3N3O4S/c19-13-6-3-7-14(16(13)21)29(26,27)24-17-18(23-15(20)8-22-17)28-10-12-5-2-1-4-11(12)9-25/h1-8,25H,9-10H2,(H,22,24)
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n/an/a 0.316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278758
PNG
(CHEMBL4167445)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccnc2)n1
Show InChI InChI=1S/C16H11Cl3N4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23)
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278799
PNG
(CHEMBL4162364)
Show SMILES COc1nc(F)c(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl2F2N3O3S/c1-21-11-10(16-8(14)9(15)17-11)18-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,16,18)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278793
PNG
(CHEMBL4160218)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCC#C)n1
Show InChI InChI=1S/C13H8Cl3N3O3S/c1-2-6-22-13-12(17-7-10(15)18-13)19-23(20,21)9-5-3-4-8(14)11(9)16/h1,3-5,7H,6H2,(H,17,19)
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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


Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
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 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


(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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Department of Medicinal Chemistry, Respiratory TAU, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: afjal.h.miah@gs

Curated by ChEMBL


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


Bioorg Med Chem 25: 5327-5340 (2017)


Article DOI: 10.1016/j.bmc.2017.07.052
BindingDB Entry DOI: 10.7270/Q2X350X1
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))
BDBM50278727
PNG
(CHEMBL4173046)
Show SMILES COc1ncc(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(16-8(14)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,16,17)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278797
PNG
(CHEMBL4160846)
Show SMILES COc1nc(CO)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O4S/c1-22-12-11(17-10(15)7(5-19)16-12)18-23(20,21)8-4-2-3-6(13)9(8)14/h2-4,19H,5H2,1H3,(H,17,18)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278794
PNG
(CHEMBL4175323)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccc(Br)c2)n1
Show InChI InChI=1S/C17H11BrCl3N3O3S/c18-11-4-1-3-10(7-11)9-27-17-16(22-8-14(20)23-17)24-28(25,26)13-6-2-5-12(19)15(13)21/h1-8H,9H2,(H,22,24)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
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



Department of Medicinal Chemistry, Respiratory TAU, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: afjal.h.miah@gs

Curated by ChEMBL


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


Bioorg Med Chem 25: 5327-5340 (2017)


Article DOI: 10.1016/j.bmc.2017.07.052
BindingDB Entry DOI: 10.7270/Q2X350X1
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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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


(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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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))
BDBM50545768
PNG
(CHEMBL4641127)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCNC(C)=O)C1 |r|
Show InChI InChI=1S/C26H33Cl2N7O/c1-16-25-26(35(32-16)17(2)22-7-6-21(27)11-23(22)28)31-24(12-30-25)34-14-20(15-34)19-5-4-9-33(13-19)10-8-29-18(3)36/h6-7,11-12,17,19-20H,4-5,8-10,13-15H2,1-3H3,(H,29,36)/t17-,19+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...


J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
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))
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))
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


Bioorg Med Chem Lett 17: 679-82 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.091
BindingDB Entry DOI: 10.7270/Q24B310V
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236789
PNG
(US9388149, 20 | US9580412, Example 20)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:21.21|
Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
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US Patent
n/an/a 7.20n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)


BindingDB Entry DOI: 10.7270/Q2222WT6
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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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay


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


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
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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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay


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


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
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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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay


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


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278801
PNG
(CHEMBL4165356)
Show SMILES COc1ncc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(16-8(13)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,16,17)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278787
PNG
(CHEMBL4173861)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1scc(Cl)c1Cl
Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-8-7(13-2-5(11)14-8)15-20(16,17)9-6(12)4(10)3-19-9/h2-3H,1H3,(H,13,15)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
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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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay


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


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50545779
PNG
(CHEMBL4642563)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C24H29Cl2N7O2/c1-14(18-5-4-17(25)9-19(18)26)33-24-22(21(30-33)23(27)35)28-10-20(29-24)32-12-16(13-32)15-3-2-6-31(11-15)7-8-34/h4-5,9-10,14-16,34H,2-3,6-8,11-13H2,1H3,(H2,27,35)/t14-,15+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...


J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23|
Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)


BindingDB Entry DOI: 10.7270/Q2222WT6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50545782
PNG
(CHEMBL4637695)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(=O)N(C)C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
Show InChI InChI=1S/C26H33Cl2N7O2/c1-16(20-7-6-19(27)11-21(20)28)35-25-23(24(31-35)26(37)32(2)3)29-12-22(30-25)34-14-18(15-34)17-5-4-8-33(13-17)9-10-36/h6-7,11-12,16-18,36H,4-5,8-10,13-15H2,1-3H3/t16-,17+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...


J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM236791
PNG
(US9388149, 22 | US9580412, Example 22)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:20.21|
Show InChI InChI=1S/C25H29ClN4O6S2/c1-14-5-8-17(36-14)19(18-4-3-13-37-18)28-21-20(23(32)24(21)33)27-16-7-6-15(26)25(22(16)31)38(34,35)30-11-9-29(2)10-12-30/h5-8,18-19,27-28,31H,3-4,9-13H2,1-2H3
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n/an/a 9.40n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...


US Patent US9580412 (2017)


BindingDB Entry DOI: 10.7270/Q2222WT6
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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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


Bioorg Med Chem Lett 16: 204-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.022
BindingDB Entry DOI: 10.7270/Q2GH9HHG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278785
PNG
(CHEMBL4170431)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H,15,17)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
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))
BDBM50278723
PNG
(CHEMBL4162097)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cncnc2)n1
Show InChI InChI=1S/C15H10Cl3N5O3S/c16-10-2-1-3-11(13(10)18)27(24,25)23-14-15(22-12(17)6-21-14)26-7-9-4-19-8-20-5-9/h1-6,8H,7H2,(H,21,23)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278786
PNG
(CHEMBL4165939)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(15-5-8(13)16-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278800
PNG
(CHEMBL4175972)
Show SMILES CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1
Show InChI InChI=1S/C13H13Cl2N3O4S/c1-3-22-10-7-16-12(13(17-10)21-2)18-23(19,20)9-6-4-5-8(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,18)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(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


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
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))
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


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
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))
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


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
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))
BDBM50278738
PNG
(CHEMBL4162555)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(14)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278749
PNG
(CHEMBL4170833)
Show SMILES CC(C)COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H14Cl3N3O3S/c1-8(2)7-23-14-13(18-6-11(16)19-14)20-24(21,22)10-5-3-4-9(15)12(10)17/h3-6,8H,7H2,1-2H3,(H,18,20)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
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