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PubMed code 16236499

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 4


(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))		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

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))		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

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))		BDBM50175671
PNG
((4-(2-(2,4-dichlorobenzylamino)pyrimidin-4-yl)pipe...)
Show SMILES CN1CCCC(C1)C(=O)N1CCN(CC1)c1ccnc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H28Cl2N6O/c1-28-8-2-3-17(15-28)21(31)30-11-9-29(10-12-30)20-6-7-25-22(27-20)26-14-16-4-5-18(23)13-19(16)24/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,25,26,27)
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n/an/a 300n/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

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))		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 380n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of chemotaxis of murine CCR4 transfected L1.2 cells

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))		BDBM50175664
PNG
((4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)pipe...)
Show SMILES CN1CCCC(C1)C(=O)N1CCN(CC1)c1nccc(NCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H28Cl2N6O/c1-28-8-2-3-17(15-28)21(31)29-9-11-30(12-10-29)22-25-7-6-20(27-22)26-14-16-4-5-18(23)13-19(16)24/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,25,26,27)
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n/an/a 700n/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

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))		BDBM50175667
PNG
((4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)pipe...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)C2CCCNC2)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N6O/c22-17-4-3-15(18(23)12-17)14-26-19-5-7-25-21(27-19)29-10-8-28(9-11-29)20(30)16-2-1-6-24-13-16/h3-5,7,12,16,24H,1-2,6,8-11,13-14H2,(H,25,26,27)
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n/an/a 800n/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

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))		BDBM50175659
PNG
((S)-(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-/m0/s1
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n/an/a 1.00E+3n/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

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))		BDBM50175673
PNG
((4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)pipera...)
Show SMILES CN1CCCC(C1)C(=O)N1CCN(CC1)c1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C22H27Cl2N5O2/c1-27-8-2-3-16(14-27)21(30)28-9-11-29(12-10-28)22-25-7-6-20(26-22)31-15-17-4-5-18(23)13-19(17)24/h4-7,13,16H,2-3,8-12,14-15H2,1H3
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n/an/a 1.20E+3n/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

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))		BDBM50175670
PNG
(CHEMBL200966 | N-((S)-1-(4-(2,4-dichlorobenzyloxy)...)
Show SMILES CC(C)[C@@H](CNc1nccc(OCc2ccc(Cl)cc2Cl)n1)NC(=O)C1CCCN(C)C1
Show InChI InChI=1S/C23H31Cl2N5O2/c1-15(2)20(28-22(31)16-5-4-10-30(3)13-16)12-27-23-26-9-8-21(29-23)32-14-17-6-7-18(24)11-19(17)25/h6-9,11,15-16,20H,4-5,10,12-14H2,1-3H3,(H,28,31)(H,26,27,29)/t16?,20-/m1/s1
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n/an/a 5.60E+3n/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

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))		BDBM50175672
PNG
((4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)pipe...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)C2CNC2)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N6O/c20-15-2-1-13(16(21)9-15)12-24-17-3-4-23-19(25-17)27-7-5-26(6-8-27)18(28)14-10-22-11-14/h1-4,9,14,22H,5-8,10-12H2,(H,23,24,25)
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n/an/a>1.00E+4n/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

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))		BDBM50175669
PNG
((4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)pipe...)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)C2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N6O/c22-17-2-1-16(18(23)13-17)14-26-19-5-8-25-21(27-19)29-11-9-28(10-12-29)20(30)15-3-6-24-7-4-15/h1-2,5,8,13,15,24H,3-4,6-7,9-12,14H2,(H,25,26,27)
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n/an/a>1.00E+4n/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

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))		BDBM50175666
PNG
(CHEMBL197654 | N-(2-(4-(2,4-dichlorobenzyloxy)pyri...)
Show SMILES CN1CCCC(C1)C(=O)NCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C20H25Cl2N5O2/c1-27-10-2-3-14(12-27)19(28)23-8-9-25-20-24-7-6-18(26-20)29-13-15-4-5-16(21)11-17(15)22/h4-7,11,14H,2-3,8-10,12-13H2,1H3,(H,23,28)(H,24,25,26)
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n/an/a>1.00E+4n/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

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))		BDBM50175662
PNG
(CHEMBL198077 | N-(3-(4-(2,4-dichlorobenzyloxy)pyri...)
Show SMILES CN1CCCC(C1)C(=O)NCCCNc1nccc(OCc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C21H27Cl2N5O2/c1-28-11-2-4-15(13-28)20(29)24-8-3-9-25-21-26-10-7-19(27-21)30-14-16-5-6-17(22)12-18(16)23/h5-7,10,12,15H,2-4,8-9,11,13-14H2,1H3,(H,24,29)(H,25,26,27)
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n/an/a>1.00E+4n/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

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))		BDBM50175660
PNG
(1-(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)pipe...)
Show SMILES Clc1ccc(COc2ccnc(n2)N2CCN(CC2)C(=O)Cc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2N5O2/c23-18-4-3-17(19(24)13-18)15-31-20-5-7-26-22(27-20)29-10-8-28(9-11-29)21(30)12-16-2-1-6-25-14-16/h1-7,13-14H,8-12,15H2
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n/an/a>1.00E+4n/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

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))		BDBM50175668
PNG
(1-(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)pipe...)
Show SMILES Cn1cnc(CC(=O)N2CCN(CC2)c2nccc(OCc3ccc(Cl)cc3Cl)n2)c1
Show InChI InChI=1S/C21H22Cl2N6O2/c1-27-12-17(25-14-27)11-20(30)28-6-8-29(9-7-28)21-24-5-4-19(26-21)31-13-15-2-3-16(22)10-18(15)23/h2-5,10,12,14H,6-9,11,13H2,1H3
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n/an/a>1.00E+4n/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

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))		BDBM50175663
PNG
((4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)pipera...)
Show SMILES Clc1ccc(COc2ccnc(n2)N2CCN(CC2)C(=O)c2cccnc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5O2/c22-17-4-3-16(18(23)12-17)14-30-19-5-7-25-21(26-19)28-10-8-27(9-11-28)20(29)15-2-1-6-24-13-15/h1-7,12-13H,8-11,14H2
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n/an/a>1.00E+4n/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

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
* indicates data uncertainty>20%