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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'miah' and Initial = 'ah'   
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))		BDBM50500893
PNG
(CHEMBL3797662)
Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(CC3CCCN3)C2)CC1
Show InChI InChI=1S/C25H34Cl2N6/c1-31(16-19-4-5-20(26)15-22(19)27)23-6-11-29-24(30-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-18H2,1H3
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 1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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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 1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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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 3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


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))		BDBM50500911
PNG
(CHEMBL3797555)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCCC3)CC2)c(Cl)c1
Show InChI InChI=1S/C26H33Cl2N5O/c27-21-7-6-20(22(28)16-21)17-30-23-8-12-29-25(31-23)32-13-9-26(10-14-32)11-15-33(18-26)24(34)19-4-2-1-3-5-19/h6-8,12,16,19H,1-5,9-11,13-15,17-18H2,(H,29,30,31)
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 631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574936
PNG
(CHEMBL4857880)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574935
PNG
(CHEMBL4866182)
Show SMILES CN[C@H](C)C(=O)N[C@@H](C(=O)N1C[C@H](C[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r|
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574921
PNG
(CHEMBL4856422)
Show SMILES CC[C@@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)NC(=O)COCCOCCOCCOCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C)c1ccccc1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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



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))		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
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50574939
PNG
(CHEMBL4870089)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r|
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KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 6His-thr cIAP1 BIR3 (253 to 363) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574922
PNG
(CHEMBL4872212)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)COCCOCCOCCOCCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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 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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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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574941
PNG
(CHEMBL4848861)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)NC(=O)[C@H](C)NC)C(=O)NC1CCCc2ccccc12 |r|
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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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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))		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
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))		BDBM50574934
PNG
(CHEMBL4876228)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
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KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human 6His-thr cIAP1 BIR3 (253 to 363) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluo...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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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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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574929
PNG
(CHEMBL4864469)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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)
UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574939
PNG
(CHEMBL4870089)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574932
PNG
(CHEMBL4866917)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1ccc(nc1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574925
PNG
(CHEMBL4860212)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(COc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574937
PNG
(CHEMBL4863259)
Show SMILES CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574920
PNG
(CHEMBL4863839)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCCOCCOCCOCCOc3cc4nccc(Nc5ccc6scnc6c5)c4cc3S(=O)(=O)C(C)(C)C)ccc2C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50574939
PNG
(CHEMBL4870089)
Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human His-thr XIAP BIR3 (241 to 356) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluore...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))		BDBM50574934
PNG
(CHEMBL4876228)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01118
BindingDB Entry DOI: 10.7270/Q2VD739F
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)
UniProtKB/SwissProt

antibodypedia
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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
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