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PubMed code 17395464

Compile data set for download or QSAR
Found 38 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))		BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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 150n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of mouse MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209278
PNG
((S)-N-(1-(2-carbamoylphenethyl)piperidin-4-yl)-1-(...)
Show SMILES CN(C1CCN(CCc2ccccc2C(N)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H35ClN4O4S/c1-33(23-14-18-34(19-15-23)17-13-21-6-2-3-8-26(21)29(32)36)30(37)28-10-5-16-35(28)40(38,39)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3,(H2,32,36)/t28-/m0/s1
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 240n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209261
PNG
((S)-N-(1-(2-fluorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33ClFN3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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 260n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209251
PNG
((S)-N-(1-(2-aminophenethyl)piperidin-4-yl)-1-(5-ch...)
Show SMILES CN(C1CCN(CCc2ccccc2N)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H35ClN4O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-9-27(21)31)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-8-26(25)30/h2-4,6-9,11-12,20,23,28H,5,10,13-19,31H2,1H3/t28-/m0/s1
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 280n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209257
PNG
((S)-N-(1-(3-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2cccc(Cl)c2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-13-17-33(18-14-24)16-12-21-5-2-7-23(30)19-21)29(35)28-9-4-15-34(28)38(36,37)25-10-11-26-22(20-25)6-3-8-27(26)31/h2-3,5-8,10-11,19-20,24,28H,4,9,12-18H2,1H3/t28-/m0/s1
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 400n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209279
PNG
((S)-N-(1-(2-(trifluoromethyl)phenethyl)piperidin-4...)
Show SMILES CN(C1CCN(CCc2ccccc2C(F)(F)F)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H33ClF3N3O3S/c1-35(23-14-18-36(19-15-23)17-13-21-6-2-3-8-26(21)30(32,33)34)29(38)28-10-5-16-37(28)41(39,40)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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 420n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209262
PNG
((S)-N-(1-(2-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccccc2Cl)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1
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 460n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209265
PNG
((S)-N-(1-(3-methoxyphenethyl)piperidin-4-yl)-1-(5-...)
Show SMILES COc1cccc(CCN2CCC(CC2)N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1
Show InChI InChI=1S/C30H36ClN3O4S/c1-32(24-14-18-33(19-15-24)17-13-22-6-3-8-25(20-22)38-2)30(35)29-10-5-16-34(29)39(36,37)26-11-12-27-23(21-26)7-4-9-28(27)31/h3-4,6-9,11-12,20-21,24,29H,5,10,13-19H2,1-2H3/t29-/m0/s1
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 470n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209260
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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 500n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209253
PNG
((S)-2-(2-(4-(1-(5-chloronaphthalen-2-ylsulfonyl)-N...)
Show SMILES CN(C1CCN(CCc2ccccc2C(O)=O)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H34ClN3O5S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30(36)37)29(35)28-10-5-16-34(28)40(38,39)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3,(H,36,37)/t28-/m0/s1
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 530n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209268
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-phen...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H35N3O3S/c1-30(26-16-20-31(21-17-26)19-15-23-8-3-2-4-9-23)29(33)28-12-7-18-32(28)36(34,35)27-14-13-24-10-5-6-11-25(24)22-27/h2-6,8-11,13-14,22,26,28H,7,12,15-21H2,1H3/t28-/m0/s1
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 590n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209255
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-(3-p...)
Show SMILES CN(C1CCN(CCCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H37N3O3S/c1-31(27-17-21-32(22-18-27)19-7-11-24-9-3-2-4-10-24)30(34)29-14-8-20-33(29)37(35,36)28-16-15-25-12-5-6-13-26(25)23-28/h2-6,9-10,12-13,15-16,23,27,29H,7-8,11,14,17-22H2,1H3/t29-/m0/s1
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 620n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209258
PNG
((S)-N-(1-(4-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-14-18-33(19-15-24)17-13-21-7-9-23(30)10-8-21)29(35)28-6-3-16-34(28)38(36,37)25-11-12-26-22(20-25)4-2-5-27(26)31/h2,4-5,7-12,20,24,28H,3,6,13-19H2,1H3/t28-/m0/s1
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 820n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209269
PNG
((S)-1-(5-fluoronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(F)cccc2c1
Show InChI InChI=1S/C29H34FN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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 850n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209263
PNG
((S)-N-(1-benzylpiperidin-4-yl)-N-methyl-1-(naphtha...)
Show SMILES CN(C1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N3O3S/c1-29(25-15-18-30(19-16-25)21-22-8-3-2-4-9-22)28(32)27-12-7-17-31(27)35(33,34)26-14-13-23-10-5-6-11-24(23)20-26/h2-6,8-11,13-14,20,25,27H,7,12,15-19,21H2,1H3/t27-/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209281
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-ethyl-N-...)
Show SMILES CCN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H36ClN3O3S/c1-2-33(25-16-20-32(21-17-25)19-15-23-8-4-3-5-9-23)30(35)29-12-7-18-34(29)38(36,37)26-13-14-27-24(22-26)10-6-11-28(27)31/h3-6,8-11,13-14,22,25,29H,2,7,12,15-21H2,1H3/t29-/m0/s1
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 2.80E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209270
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(naphthalen-2-yls...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O3S/c31-27(28-24-14-17-29(18-15-24)20-21-7-2-1-3-8-21)26-11-6-16-30(26)34(32,33)25-13-12-22-9-4-5-10-23(22)19-25/h1-5,7-10,12-13,19,24,26H,6,11,14-18,20H2,(H,28,31)/t26-/m0/s1
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 4.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209274
PNG
((S)-N-(2-morpholinoethyl)-1-(naphthalen-2-ylsulfon...)
Show SMILES O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N(CCN1CCOCC1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C34H44N4O4S/c39-34(33-11-6-17-38(33)43(40,41)32-13-12-29-9-4-5-10-30(29)27-32)37(22-21-36-23-25-42-26-24-36)31-15-19-35(20-16-31)18-14-28-7-2-1-3-8-28/h1-5,7-10,12-13,27,31,33H,6,11,14-26H2/t33-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209248
PNG
((S)-ethyl 2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phen...)
Show SMILES CCOC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H39N3O5S/c1-2-40-31(36)24-34(28-17-21-33(22-18-28)20-16-25-9-4-3-5-10-25)32(37)30-13-8-19-35(30)41(38,39)29-15-14-26-11-6-7-12-27(26)23-29/h3-7,9-12,14-15,23,28,30H,2,8,13,16-22,24H2,1H3/t30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209252
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CC1)C(=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H32ClN3O4S/c1-31(23-14-17-32(18-15-23)28(34)19-21-7-3-2-4-8-21)29(35)27-11-6-16-33(27)38(36,37)24-12-13-25-22(20-24)9-5-10-26(25)30/h2-5,7-10,12-13,20,23,27H,6,11,14-19H2,1H3/t27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209273
PNG
((S)-1-(5-acetamidonaphthalen-2-ylsulfonyl)-N-methy...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(NC(C)=O)cccc2c1
Show InChI InChI=1S/C31H38N4O4S/c1-23(36)32-29-11-6-10-25-22-27(13-14-28(25)29)40(38,39)35-18-7-12-30(35)31(37)33(2)26-16-20-34(21-17-26)19-15-24-8-4-3-5-9-24/h3-6,8-11,13-14,22,26,30H,7,12,15-21H2,1-2H3,(H,32,36)/t30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209275
PNG
((S)-N-(1-isobutylpiperidin-4-yl)-1-(naphthalen-2-y...)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H33N3O3S/c1-18(2)17-26-14-11-21(12-15-26)25-24(28)23-8-5-13-27(23)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,18,21,23H,5,8,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209272
PNG
((S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-2-yl...)
Show SMILES O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c31-26(28-22-12-16-29(17-13-22)19-23-8-3-4-14-27-23)25-9-5-15-30(25)34(32,33)24-11-10-20-6-1-2-7-21(20)18-24/h1-4,6-8,10-11,14,18,22,25H,5,9,12-13,15-17,19H2,(H,28,31)/t25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209250
PNG
((S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-(phe...)
Show SMILES CN(C1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O5S2/c1-28(23-15-18-29(19-16-23)36(32,33)24-10-3-2-4-11-24)27(31)26-12-7-17-30(26)37(34,35)25-14-13-21-8-5-6-9-22(21)20-25/h2-6,8-11,13-14,20,23,26H,7,12,15-19H2,1H3/t26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209246
PNG
((S)-1-(naphthalen-2-ylsulfonyl)-N-(1-(pyridin-3-yl...)
Show SMILES O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c31-26(28-23-11-15-29(16-12-23)19-20-5-3-13-27-18-20)25-8-4-14-30(25)34(32,33)24-10-9-21-6-1-2-7-22(21)17-24/h1-3,5-7,9-10,13,17-18,23,25H,4,8,11-12,14-16,19H2,(H,28,31)/t25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209247
PNG
((S)-1-(5-aminonaphthalen-2-ylsulfonyl)-N-methyl-N-...)
Show SMILES CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(N)cccc2c1
Show InChI InChI=1S/C29H36N4O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20,30H2,1H3/t28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209256
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(4-isopropylpheny...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H35N3O3S/c1-20(2)22-10-12-24(13-11-22)33(31,32)29-16-6-9-25(29)26(30)27-23-14-17-28(18-15-23)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,20,23,25H,6,9,14-19H2,1-2H3,(H,27,30)/t25-/m0/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209271
PNG
((S)-2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phenethylp...)
Show SMILES OC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H35N3O5S/c34-29(35)22-32(26-15-19-31(20-16-26)18-14-23-7-2-1-3-8-23)30(36)28-11-6-17-33(28)39(37,38)27-13-12-24-9-4-5-10-25(24)21-27/h1-5,7-10,12-13,21,26,28H,6,11,14-20,22H2,(H,34,35)/t28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209249
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(benzylsulfonyl)p...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H31N3O3S/c28-24(25-22-13-16-26(17-14-22)18-20-8-3-1-4-9-20)23-12-7-15-27(23)31(29,30)19-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2,(H,25,28)/t23-/m0/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209266
PNG
((S)-N2-(1-benzylpiperidin-4-yl)-N1-(4-tert-butylph...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H38N4O2/c1-28(2,3)22-11-13-23(14-12-22)30-27(34)32-17-7-10-25(32)26(33)29-24-15-18-31(19-16-24)20-21-8-5-4-6-9-21/h4-6,8-9,11-14,24-25H,7,10,15-20H2,1-3H3,(H,29,33)(H,30,34)/t25-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209277
PNG
((R)-N-(1-benzylpiperidin-4-yl)-1-(naphthalen-2-yls...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O3S/c31-27(28-24-14-17-29(18-15-24)20-21-7-2-1-3-8-21)26-11-6-16-30(26)34(32,33)25-13-12-22-9-4-5-10-23(22)19-25/h1-5,7-10,12-13,19,24,26H,6,11,14-18,20H2,(H,28,31)/t26-/m1/s1
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 2.02E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209276
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(naphthalen-2-ylm...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N3O/c32-28(29-26-14-17-30(18-15-26)20-22-7-2-1-3-8-22)27-11-6-16-31(27)21-23-12-13-24-9-4-5-10-25(24)19-23/h1-5,7-10,12-13,19,26-27H,6,11,14-18,20-21H2,(H,29,32)/t27-/m0/s1
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 2.50E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209264
PNG
((S)-N-(1-benzylpiperidin-4-yl)-N-methyl-1-(naphtha...)
Show SMILES CN(C1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H33N3O3S/c1-29(24-16-19-30(20-17-24)21-22-9-3-2-4-10-22)28(32)26-14-8-18-31(26)35(33,34)27-15-7-12-23-11-5-6-13-25(23)27/h2-7,9-13,15,24,26H,8,14,16-21H2,1H3/t26-/m0/s1
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 2.60E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209259
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(phenylsulfonyl)p...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O3S/c27-23(22-12-7-15-26(22)30(28,29)21-10-5-2-6-11-21)24-20-13-16-25(17-14-20)18-19-8-3-1-4-9-19/h1-6,8-11,20,22H,7,12-18H2,(H,24,27)/t22-/m0/s1
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>2.90E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209267
PNG
((S)-1-(2-naphthoyl)-N-(1-benzylpiperidin-4-yl)pyrr...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H31N3O2/c32-27(29-25-14-17-30(18-15-25)20-21-7-2-1-3-8-21)26-11-6-16-31(26)28(33)24-13-12-22-9-4-5-10-23(22)19-24/h1-5,7-10,12-13,19,25-26H,6,11,14-18,20H2,(H,29,32)/t26-/m0/s1
UniProtKB/SwissProt

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>2.90E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209280
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(isopropylsulfony...)
Show SMILES CC(C)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H31N3O3S/c1-16(2)27(25,26)23-12-6-9-19(23)20(24)21-18-10-13-22(14-11-18)15-17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3,(H,21,24)/t19-/m0/s1
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>2.90E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50209254
PNG
((S)-1-(naphthalen-2-ylsulfonyl)-N-(piperidin-4-yl)...)
Show SMILES O=C(NC1CCNCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N3O3S/c24-20(22-17-9-11-21-12-10-17)19-6-3-13-23(19)27(25,26)18-8-7-15-4-1-2-5-16(15)14-18/h1-2,4-5,7-8,14,17,19,21H,3,6,9-13H2,(H,22,24)/t19-/m0/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay

Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%