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PubMed code 16497499

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
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 (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


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 (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


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 (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


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 (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


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 (CCR4)


(Homo sapiens (Human))
BDBM50183113
PNG
(4-tert-butyl-N-(naphthalen-1-yl)oxazol-2-amine | C...)
Show SMILES CC(C)(C)c1coc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H18N2O/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183118
PNG
(4-tert-butyl-N-(naphthalen-1-yl)thiazol-2-amine | ...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H18N2S/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183096
PNG
(4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine | C...)
Show SMILES CC(C)c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C16H16N2S/c1-11(2)15-10-19-16(18-15)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,18)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183111
PNG
(4-tert-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C17H22N2S/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183100
PNG
(CHEMBL208458 | N-(4-tert-butylthiazol-2-yl)-1-ethy...)
Show SMILES CCn1ccc2c(Nc3nc(cs3)C(C)(C)C)cccc12
Show InChI InChI=1S/C17H21N3S/c1-5-20-10-9-12-13(7-6-8-14(12)20)18-16-19-15(11-21-16)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183099
PNG
(CHEMBL424689 | N-(naphthalen-1-yl)-4-neopentylthia...)
Show SMILES CC(C)(C)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H20N2S/c1-18(2,3)11-14-12-21-17(19-14)20-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,12H,11H2,1-3H3,(H,19,20)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183098
PNG
(4-tert-butyl-N-(2,3-dimethylphenyl)thiazol-2-amine...)
Show SMILES Cc1cccc(Nc2nc(cs2)C(C)(C)C)c1C
Show InChI InChI=1S/C15H20N2S/c1-10-7-6-8-12(11(10)2)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183089
PNG
(CHEMBL207857 | N-(4-tert-butylthiazol-2-yl)quinoli...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3ncccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)14-10-20-15(19-14)18-13-8-4-7-12-11(13)6-5-9-17-12/h4-10H,1-3H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183107
PNG
(6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cccc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n2)c1C
Show InChI InChI=1S/C29H34F3N3/c1-21-10-8-16-27(22(21)2)34-28-17-9-14-25(33-28)20-35(18-23-11-4-3-5-12-23)19-24-13-6-7-15-26(24)29(30,31)32/h6-10,13-17,23H,3-5,11-12,18-20H2,1-2H3,(H,33,34)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183116
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)nn2C)c1C
Show InChI InChI=1S/C28H35F3N4/c1-20-10-9-15-26(21(20)2)32-27-16-24(33-34(27)3)19-35(17-22-11-5-4-6-12-22)18-23-13-7-8-14-25(23)28(29,30)31/h7-10,13-16,22,32H,4-6,11-12,17-19H2,1-3H3
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183095
PNG
(4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine ...)
Show SMILES CC(C)c1ccccc1Nc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C16H22N2S/c1-11(2)12-8-6-7-9-13(12)17-15-18-14(10-19-15)16(3,4)5/h6-11H,1-5H3,(H,17,18)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183104
PNG
(CHEMBL207479 | N-(4-tert-butylthiazol-2-yl)-1H-ind...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3[nH]ccc23)n1
Show InChI InChI=1S/C15H17N3S/c1-15(2,3)13-9-19-14(18-13)17-12-6-4-5-11-10(12)7-8-16-11/h4-9,16H,1-3H3,(H,17,18)
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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 (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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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of TARC-mediated CEM cell migration


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 (CCR4)


(Homo sapiens (Human))
BDBM50183110
PNG
(4-((diethylamino)methyl)-N-(naphthalen-1-yl)thiazo...)
Show SMILES CCN(CC)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H21N3S/c1-3-21(4-2)12-15-13-22-18(19-15)20-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13H,3-4,12H2,1-2H3,(H,19,20)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183109
PNG
(4-tert-butyl-N-o-tolylthiazol-2-amine | CHEMBL3822...)
Show SMILES Cc1ccccc1Nc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C14H18N2S/c1-10-7-5-6-8-11(10)15-13-16-12(9-17-13)14(2,3)4/h5-9H,1-4H3,(H,15,16)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183106
PNG
(4-(4-tert-butylphenyl)-N-(naphthalen-1-yl)thiazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183088
PNG
(4-((ethylamino)methyl)-N-(naphthalen-1-yl)thiazol-...)
Show SMILES CCNCc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-2-17-10-13-11-20-16(18-13)19-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,17H,2,10H2,1H3,(H,18,19)
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n/an/a 1.00E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183101
PNG
(CHEMBL378272 | N-(4-tert-butylthiazol-2-yl)isoquin...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3cnccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)14-10-20-15(19-14)18-13-6-4-5-11-9-17-8-7-12(11)13/h4-10H,1-3H3,(H,18,19)
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n/an/a 1.50E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 1.70E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183114
PNG
(4-tert-butyl-N-m-tolylthiazol-2-amine | CHEMBL4382...)
Show SMILES Cc1cccc(Nc2nc(cs2)C(C)(C)C)c1
Show InChI InChI=1S/C14H18N2S/c1-10-6-5-7-11(8-10)15-13-16-12(9-17-13)14(2,3)4/h5-9H,1-4H3,(H,15,16)
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n/an/a 2.00E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 3.00E+3n/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


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 (CCR4)


(Homo sapiens (Human))
BDBM50183112
PNG
(4-tert-butyl-N-phenylthiazol-2-amine | CHEMBL20610...)
Show SMILES CC(C)(C)c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C13H16N2S/c1-13(2,3)11-9-16-12(15-11)14-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)
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n/an/a 4.50E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183105
PNG
(CHEMBL208452 | N-(naphthalen-1-yl)-4-phenylthiazol...)
Show SMILES N(c1nc(cs1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
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n/an/a 5.50E+3n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of TARC-mediated CEM cell migration


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 (CCR4)


(Homo sapiens (Human))
BDBM50183092
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)no2)c1C
Show InChI InChI=1S/C27H32F3N3O/c1-19-9-8-14-25(20(19)2)31-26-15-23(32-34-26)18-33(16-21-10-4-3-5-11-21)17-22-12-6-7-13-24(22)27(28,29)30/h6-9,12-15,21,31H,3-5,10-11,16-18H2,1-2H3
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n/an/a 1.21E+4n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183103
PNG
(4-tert-butyl-N-(naphthalen-1-yl)pyrimidin-2-amine ...)
Show SMILES CC(C)(C)c1ccnc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H19N3/c1-18(2,3)16-11-12-19-17(21-16)20-15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3,(H,19,20,21)
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n/an/a>2.50E+4n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183093
PNG
(4-(aminomethyl)-N-(naphthalen-1-yl)thiazol-2-amine...)
Show SMILES NCc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H13N3S/c15-8-11-9-18-14(16-11)17-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8,15H2,(H,16,17)
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n/an/a>2.50E+4n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183108
PNG
(CHEMBL206039 | N-(4-tert-butylthiazol-2-yl)quinoli...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3cccnc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)13-10-20-15(19-13)18-12-8-4-6-11-7-5-9-17-14(11)12/h4-10H,1-3H3,(H,18,19)
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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 (CCR4)


(Homo sapiens (Human))
BDBM50183090
PNG
(4-isopropyl-2-(naphthalen-1-ylmethyl)thiazole | CH...)
Show SMILES CC(C)c1csc(Cc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H17NS/c1-12(2)16-11-19-17(18-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3
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n/an/a>2.50E+4n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183115
PNG
(CHEMBL207801 | N,4-dimethyl-N-(naphthalen-1-yl)thi...)
Show SMILES CN(c1nc(C)cs1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2S/c1-11-10-18-15(16-11)17(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
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n/an/a>2.50E+4n/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 (CCR4)


(Homo sapiens (Human))
BDBM50183097
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n[nH]2)c1C
Show InChI InChI=1S/C27H33F3N4/c1-19-9-8-14-25(20(19)2)31-26-15-23(32-33-26)18-34(16-21-10-4-3-5-11-21)17-22-12-6-7-13-24(22)27(28,29)30/h6-9,12-15,21H,3-5,10-11,16-18H2,1-2H3,(H2,31,32,33)
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n/an/a>2.50E+4n/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
* indicates data uncertainty>20%