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USPatent US10246462

Compile data set for download or QSAR
Found 92 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))		BDBM374667
PNG
(3-((S)-1-((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlor...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(N)=O |r|
Show InChI InChI=1S/C27H32Cl2N8O/c1-16-15-35(11-9-23(16)36-10-3-4-19(36)6-8-24(31)38)25-14-32-26-22(13-30)34-37(27(26)33-25)17(2)20-7-5-18(28)12-21(20)29/h5,7,12,14,16-17,19,23H,3-4,6,8-11,15H2,1-2H3,(H2,31,38)/t16-,17-,19+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374690
PNG
(3-((S)-1-((1S,6R)-4-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r,t:23|
Show InChI InChI=1S/C28H33Cl2N5O2/c1-16-13-19(6-10-25(16)34-12-4-5-21(34)8-11-26(36)37)24-15-31-27-17(2)33-35(28(27)32-24)18(3)22-9-7-20(29)14-23(22)30/h6-7,9,14-16,18,21,25H,4-5,8,10-13H2,1-3H3,(H,36,37)/t16-,18-,21+,25?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374698
PNG
(Step 1: (2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorop...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14?,15-,22?,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374706
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1C(O)CS(C)(=O)=O |r,t:24|
Show InChI InChI=1S/C28H32Cl2N6O3S/c1-16-11-18(6-9-24(16)35-10-4-5-25(35)26(37)15-40(3,38)39)23-14-32-27-22(13-31)34-36(28(27)33-23)17(2)20-8-7-19(29)12-21(20)30/h6-8,12,14,16-17,24-26,37H,4-5,9-11,15H2,1-3H3/t16-,17-,24?,25+,26?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374632
PNG
(6-((3R,4S)-4-(Azetidin-1-yl)-3-methylpiperidin-1-y...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC1 |r|
Show InChI InChI=1S/C23H28Cl2N6/c1-14-13-30(10-7-20(14)29-8-4-9-29)21-12-26-22-15(2)28-31(23(22)27-21)16(3)18-6-5-17(24)11-19(18)25/h5-6,11-12,14,16,20H,4,7-10,13H2,1-3H3/t14-,16-,20+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374642
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3′R,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H29Cl2N7/c1-16-15-33(11-8-22(16)32-9-4-3-5-10-32)23-14-29-24-21(13-28)31-34(25(24)30-23)17(2)19-7-6-18(26)12-20(19)27/h6-7,12,14,16-17,22H,3-5,8-11,15H2,1-2H3/t16-,17-,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374648
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3′R,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](CO)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32/h5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3/t16-,17+,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374650
PNG
(((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H32Cl2N6O/c1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27/h6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3/t15-,17-,19+,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374662
PNG
(3-((S)-1-((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlor...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H31Cl2N7O2/c1-16-15-34(11-9-23(16)35-10-3-4-19(35)6-8-25(37)38)24-14-31-26-22(13-30)33-36(27(26)32-24)17(2)20-7-5-18(28)12-21(20)29/h5,7,12,14,16-17,19,23H,3-4,6,8-11,15H2,1-2H3,(H,37,38)/t16-,17-,19+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374663
PNG
(3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(N)=O |r|
Show InChI InChI=1S/C27H35Cl2N7O/c1-16-15-34(12-10-23(16)35-11-4-5-20(35)7-9-24(30)37)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H2,30,37)/t16-,18-,20+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374697
PNG
(((2S)-1-(4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1CO |r,t:23|
Show InChI InChI=1S/C26H31Cl2N5O/c1-15-11-18(6-9-24(15)32-10-4-5-20(32)14-34)23-13-29-25-16(2)31-33(26(25)30-23)17(3)21-8-7-19(27)12-22(21)28/h6-8,12-13,15,17,20,24,34H,4-5,9-11,14H2,1-3H3/t15?,17-,20+,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374633
PNG
(6-((3R,4S)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCCC1 |r|
Show InChI InChI=1S/C26H34Cl2N6/c1-17-16-33(13-10-23(17)32-11-6-4-5-7-12-32)24-15-29-25-18(2)31-34(26(25)30-24)19(3)21-9-8-20(27)14-22(21)28/h8-9,14-15,17,19,23H,4-7,10-13,16H2,1-3H3/t17-,19-,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374671
PNG
(2-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C26H35Cl2N7O2S/c1-16-15-33(11-8-23(16)34-10-4-5-20(34)9-12-38(29,36)37)24-14-30-25-17(2)32-35(26(25)31-24)18(3)21-7-6-19(27)13-22(21)28/h6-7,13-14,16,18,20,23H,4-5,8-12,15H2,1-3H3,(H2,29,36,37)/t16-,18-,20+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374639
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15-,16-,18-,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374652
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27/h5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3/t15-,16-,18+,22+/m1/s1
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n/an/a<100n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374702
PNG
(US10246462, Example 83)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1C |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15-,16-,17-,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374690
PNG
(3-((S)-1-((1S,6R)-4-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r,t:23|
Show InChI InChI=1S/C28H33Cl2N5O2/c1-16-13-19(6-10-25(16)34-12-4-5-21(34)8-11-26(36)37)24-15-31-27-17(2)33-35(28(27)32-24)18(3)22-9-7-20(29)14-23(22)30/h6-7,9,14-16,18,21,25H,4-5,8,10-13H2,1-3H3,(H,36,37)/t16-,18-,21+,25?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374693
PNG
(3-((2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1CCC(O)=O |r,t:24|
Show InChI InChI=1S/C28H30Cl2N6O2/c1-16-12-18(5-9-25(16)35-11-3-4-20(35)7-10-26(37)38)24-15-32-27-23(14-31)34-36(28(27)33-24)17(2)21-8-6-19(29)13-22(21)30/h5-6,8,13,15-17,20,25H,3-4,7,9-12H2,1-2H3,(H,37,38)/t16?,17-,20+,25?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374709
PNG
(US10246462, Example 90)
Show SMILES C[C@H](c1ccc(Cl)cc1F)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H31ClFN7O2/c1-16-15-34(11-9-23(16)35-10-3-4-19(35)6-8-25(37)38)24-14-31-26-22(13-30)33-36(27(26)32-24)17(2)20-7-5-18(28)12-21(20)29/h5,7,12,14,16-17,19,23H,3-4,6,8-11,15H2,1-2H3,(H,37,38)/t16-,17-,19+,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374631
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H30Cl2N6/c1-15-14-31(11-8-21(15)30-9-4-5-10-30)22-13-27-23-16(2)29-32(24(23)28-22)17(3)19-7-6-18(25)12-20(19)26/h6-7,12-13,15,17,21H,4-5,8-11,14H2,1-3H3/t15-,17-,21?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374635
PNG
(6-((3R,4S)-4-(Azocan-1-yl)-3-methylpiperidin-1-yl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCCCC1 |r|
Show InChI InChI=1S/C27H36Cl2N6/c1-18-17-34(14-11-24(18)33-12-7-5-4-6-8-13-33)25-16-30-26-19(2)32-35(27(26)31-25)20(3)22-10-9-21(28)15-23(22)29/h9-10,15-16,18,20,24H,4-8,11-14,17H2,1-3H3/t18-,20-,24+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374695
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374641
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-((3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15-,16+,18-,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374649
PNG
((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-m...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(CC1)N1CCC[C@H]1C |r|
Show InChI InChI=1S/C24H30Cl2N6/c1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26/h6-7,13-15,17,19H,4-5,8-12H2,1-3H3/t15-,17-/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374668
PNG
(3-((S)-1-((3R,4S)-1-(1-((R)-1-(4-Chloro-2-fluoroph...)
Show SMILES C[C@H](c1ccc(Cl)cc1F)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H34ClFN6O2/c1-16-15-33(12-10-23(16)34-11-4-5-20(34)7-9-25(36)37)24-14-30-26-17(2)32-35(27(26)31-24)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H,36,37)/t16-,18-,20+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374670
PNG
(3-((S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(CC1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C26H32Cl2N6O2/c1-16-25-26(34(31-16)17(2)21-7-5-18(27)14-22(21)28)30-23(15-29-25)32-12-9-20(10-13-32)33-11-3-4-19(33)6-8-24(35)36/h5,7,14-15,17,19-20H,3-4,6,8-13H2,1-2H3,(H,35,36)/t17-,19+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374681
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(3-(hydroxym...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC(CC1)N1CCCC(CO)C1 |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-16(20-5-4-18(26)11-21(20)27)34-25-24(22(12-28)31-34)29-13-23(30-25)32-9-6-19(7-10-32)33-8-2-3-17(14-33)15-35/h4-5,11,13,16-17,19,35H,2-3,6-10,14-15H2,1H3/t16-,17?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374685
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3&...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)C1CCCNC1 |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-32(10-8-20(15)18-5-4-9-28-12-18)23-13-29-24-16(2)31-33(25(24)30-23)17(3)21-7-6-19(26)11-22(21)27/h6-7,11,13,15,17-18,20,28H,4-5,8-10,12,14H2,1-3H3/t15?,17-,18?,20?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374688
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=C[C@@H](C)[C@H](CC1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h6-7,10-11,13,15-16,19,24,35H,3-5,8-9,14H2,1-2H3/t15-,16-,19+,24+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374623
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)16(2)18-7-6-17(26)12-19(18)27/h6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3,(H2,28,35)
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374638
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((2S,4S,5R)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1C[C@@H](C)[C@H](C[C@@H]1C)N1CCCC1 |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-32(16(2)11-22(15)31-9-5-6-10-31)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15-,16+,18-,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374679
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES CC(CC(O)=O)[C@@H]1CCCN1C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C28H36Cl2N6O2/c1-16(12-26(37)38)23-6-5-10-35(23)24-9-11-34(15-17(24)2)25-14-31-27-18(3)33-36(28(27)32-25)19(4)21-8-7-20(29)13-22(21)30/h7-8,13-14,16-17,19,23-24H,5-6,9-12,15H2,1-4H3,(H,37,38)/t16?,17?,19-,23+,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374710
PNG
(US10246462, Example 91)
Show SMILES CNC(=O)[C@@H]1CCCN1[C@H]1CC=C(C[C@H]1C)c1cnc2c(nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1)C#N |r,c:12|
Show InChI InChI=1S/C27H29Cl2N7O/c1-15-11-17(6-9-23(15)35-10-4-5-24(35)27(37)31-3)22-14-32-25-21(13-30)34-36(26(25)33-22)16(2)19-8-7-18(28)12-20(19)29/h6-8,12,14-16,23-24H,4-5,9-11H2,1-3H3,(H,31,37)/t15-,16-,23+,24+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374628
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-ethyl-...)
Show SMILES CCC1CN(CCC1N1CCCCC1)c1cnc2cnn(C(C)c3ccc(Cl)cc3Cl)c2n1
Show InChI InChI=1S/C25H32Cl2N6/c1-3-18-16-32(12-9-23(18)31-10-5-4-6-11-31)24-15-28-22-14-29-33(25(22)30-24)17(2)20-8-7-19(26)13-21(20)27/h7-8,13-15,17-18,23H,3-6,9-12,16H2,1-2H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374680
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(4-fluoro-3&...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC(F)CC1 |r|
Show InChI InChI=1S/C25H31Cl2FN6/c1-15-14-33(11-8-22(15)32-9-6-19(28)7-10-32)23-13-29-24-16(2)31-34(25(24)30-23)17(3)20-5-4-18(26)12-21(20)27/h4-5,12-13,15,17,19,22H,6-11,14H2,1-3H3/t15?,17-,22?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374694
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4R,5S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@@H](C)C1)N1CCC[C@H]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16+,19-,24?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374699
PNG
((S)-1-((1R,6S)-4-(3-Cyano-1-((R)-1-(2,4-dichloroph...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@@H](C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14-,15+,22?,23-/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374703
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(4-((S)-2-(m...)
Show SMILES COC[C@@H]1CCCN1C1CC=C(CC1C)c1cnc2c(nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1)C#N |r,c:11|
Show InChI InChI=1S/C27H30Cl2N6O/c1-16-11-18(6-9-25(16)34-10-4-5-20(34)15-36-3)24-14-31-26-23(13-30)33-35(27(26)32-24)17(2)21-8-7-19(28)12-22(21)29/h6-8,12,14,16-17,20,25H,4-5,9-11,15H2,1-3H3/t16?,17-,20+,25?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374630
PNG
(Ethyl 1-(2,4-dichlorobenzyl)-6-(3′-methyl-[1...)
Show SMILES CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nc(cnc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C26H32Cl2N6O2/c1-3-36-26(35)24-23-25(34(31-24)16-18-7-8-19(27)13-20(18)28)30-22(14-29-23)33-12-9-21(17(2)15-33)32-10-5-4-6-11-32/h7-8,13-14,17,21H,3-6,9-12,15-16H2,1-2H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374646
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-(hydro...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(CO)C1)N1CCCCC1
Show InChI InChI=1S/C25H31Cl2N7O2/c1-15(18-6-5-17(26)11-19(18)27)34-25-23(22(31-34)24(28)36)29-12-21(30-25)33-10-7-20(16(13-33)14-35)32-8-3-2-4-9-32/h5-6,11-12,15-16,20,35H,2-4,7-10,13-14H2,1H3,(H2,28,36)
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374665
PNG
(4-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CCC(O)C(F)(F)F |r|
Show InChI InChI=1S/C28H35Cl2F3N6O/c1-16-15-37(12-10-23(16)38-11-4-5-20(38)7-9-24(40)28(31,32)33)25-14-34-26-17(2)36-39(27(26)35-25)18(3)21-8-6-19(29)13-22(21)30/h6,8,13-14,16,18,20,23-24,40H,4-5,7,9-12,15H2,1-3H3/t16?,18-,20+,23?,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374705
PNG
((S)-1-((1S,6R)-4-(1-((R)-1-(2,4-Dichlorophenyl)eth...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1C(N)=O |r,t:23|
Show InChI InChI=1S/C26H30Cl2N6O/c1-14-11-17(6-9-22(14)33-10-4-5-23(33)25(29)35)21-13-30-24-15(2)32-34(26(24)31-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H2,29,35)/t14-,16-,22?,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374711
PNG
(US10246462, Example 92)
Show SMILES CCN(CC1(O)COC1)C1CC=C(CC1C)c1cnc2c(nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1)C#N |r,c:12|
Show InChI InChI=1S/C27H30Cl2N6O2/c1-4-34(13-27(36)14-37-15-27)24-8-5-18(9-16(24)2)23-12-31-25-22(11-30)33-35(26(25)32-23)17(3)20-7-6-19(28)10-21(20)29/h5-7,10,12,16-17,24,36H,4,8-9,13-15H2,1-3H3/t16?,17-,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374621
PNG
(Ethyl 1-(1-(2,4-dichlorophenyl)ethyl)-6-(3′-...)
Show SMILES CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(cnc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C27H34Cl2N6O2/c1-4-37-27(36)25-24-26(35(32-25)18(3)20-9-8-19(28)14-21(20)29)31-23(15-30-24)34-13-10-22(17(2)16-34)33-11-6-5-7-12-33/h8-9,14-15,17-18,22H,4-7,10-13,16H2,1-3H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374626
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-ethyl-...)
Show SMILES CCC1CN(CCC1N1CCCCC1)c1cnc2c(nn(C(C)c3ccc(Cl)cc3Cl)c2n1)C#N
Show InChI InChI=1S/C26H31Cl2N7/c1-3-18-16-34(12-9-23(18)33-10-5-4-6-11-33)24-15-30-25-22(14-29)32-35(26(25)31-24)17(2)20-8-7-19(27)13-21(20)28/h7-8,13,15,17-18,23H,3-6,9-12,16H2,1-2H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374627
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1ncc2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C24H30Cl2N6/c1-16-15-31(11-8-22(16)30-9-4-3-5-10-30)23-14-27-21-13-28-32(24(21)29-23)17(2)19-7-6-18(25)12-20(19)26/h6-7,12-14,16-17,22H,3-5,8-11,15H2,1-2H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374647
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3′S,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@H]([C@@H](CO)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H29Cl2N7O/c1-16(19-6-5-18(26)11-20(19)27)34-25-24(21(12-28)31-34)29-13-23(30-25)33-10-7-22(17(14-33)15-35)32-8-3-2-4-9-32/h5-6,11,13,16-17,22,35H,2-4,7-10,14-15H2,1H3/t16-,17-,22-/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374654
PNG
(((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)e...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C25H27Cl2N7O2/c1-14-13-32(9-7-20(14)33-8-3-4-21(33)25(35)36)22-12-29-23-19(11-28)31-34(24(23)30-22)15(2)17-6-5-16(26)10-18(17)27/h5-6,10,12,14-15,20-21H,3-4,7-9,13H2,1-2H3,(H,35,36)/t14-,15-,20+,21+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374657
PNG
(2-((3S,3′R,4′S)-1′-(1-((R)-1-(2,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C26H34Cl2N6/c1-16-6-5-10-32(14-16)23-9-11-33(15-17(23)2)24-13-29-25-18(3)31-34(26(25)30-24)19(4)21-8-7-20(27)12-22(21)28/h7-8,12-13,16-17,19,23H,5-6,9-11,14-15H2,1-4H3/t16-,17-,19-,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374661
PNG
(3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H34Cl2N6O2/c1-16-15-33(12-10-23(16)34-11-4-5-20(34)7-9-25(36)37)24-14-30-26-17(2)32-35(27(26)31-24)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H,36,37)/t16-,18-,20+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374684
PNG
(2-((3S,3′R,4′S)-1′-(1-((R)-1-(2,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](CO)C1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C26H34Cl2N6O/c1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28/h6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3/t16-,18-,19+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374687
PNG
(((2S)-1-(4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC(CC1)N1CCC[C@H]1CO |r,t:23|
Show InChI InChI=1S/C25H29Cl2N5O/c1-15-24-25(32(30-15)16(2)21-10-7-18(26)12-22(21)27)29-23(13-28-24)17-5-8-19(9-6-17)31-11-3-4-20(31)14-33/h5,7,10,12-13,16,19-20,33H,3-4,6,8-9,11,14H2,1-2H3/t16-,19?,20+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374707
PNG
(US10246462, Example 88)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C)C(F)(F)F |r,t:22|
Show InChI InChI=1S/C26H28Cl2F3N5/c1-14-11-17(6-9-22(14)35-10-4-5-15(35)2)21-13-32-23-24(26(29,30)31)34-36(25(23)33-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-16,22H,4-5,9-11H2,1-3H3/t14?,15-,16-,22?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374636
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CC=CC1 |r,c:33|
Show InChI InChI=1S/C24H28Cl2N6/c1-15-14-31(11-8-21(15)30-9-4-5-10-30)22-13-27-23-16(2)29-32(24(23)28-22)17(3)19-7-6-18(25)12-20(19)26/h4-7,12-13,15,17,21H,8-11,14H2,1-3H3/t15-,17-,21+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374655
PNG
(2-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(C)(C)O |r|
Show InChI InChI=1S/C27H36Cl2N6O/c1-16-15-33(12-10-22(16)34-11-6-7-23(34)27(4,5)36)24-14-30-25-17(2)32-35(26(25)31-24)18(3)20-9-8-19(28)13-21(20)29/h8-9,13-14,16,18,22-23,36H,6-7,10-12,15H2,1-5H3/t16-,18-,22+,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374678
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CC(O)C(O)=O |r|
Show InChI InChI=1S/C27H34Cl2N6O3/c1-15-14-33(10-8-22(15)34-9-4-5-19(34)12-23(36)27(37)38)24-13-30-25-16(2)32-35(26(25)31-24)17(3)20-7-6-18(28)11-21(20)29/h6-7,11,13,15,17,19,22-23,36H,4-5,8-10,12,14H2,1-3H3,(H,37,38)/t15?,17-,19+,22?,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374624
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(3′-me...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)16(2)18-7-6-17(26)12-19(18)27/h6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3,(H2,28,35)/t15?,16-,20?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374625
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-ethyl-...)
Show SMILES CCC1CN(CCC1N1CCCCC1)c1cnc2c(nn(C(C)c3ccc(Cl)cc3Cl)c2n1)C(N)=O
Show InChI InChI=1S/C26H33Cl2N7O/c1-3-17-15-34(12-9-21(17)33-10-5-4-6-11-33)22-14-30-24-23(25(29)36)32-35(26(24)31-22)16(2)19-8-7-18(27)13-20(19)28/h7-8,13-14,16-17,21H,3-6,9-12,15H2,1-2H3,(H2,29,36)
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374644
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-fluoro...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(F)C1)N1CCCCC1
Show InChI InChI=1S/C24H28Cl2FN7O/c1-14(16-6-5-15(25)11-17(16)26)34-24-22(21(31-34)23(28)35)29-12-20(30-24)33-10-7-19(18(27)13-33)32-8-3-2-4-9-32/h5-6,11-12,14,18-19H,2-4,7-10,13H2,1H3,(H2,28,35)
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374658
PNG
(2-((3S,3′R,4′S)-1′-(3-Cyano-1-((...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C26H31Cl2N7/c1-16-5-4-9-33(14-16)23-8-10-34(15-17(23)2)24-13-30-25-22(12-29)32-35(26(25)31-24)18(3)20-7-6-19(27)11-21(20)28/h6-7,11,13,16-18,23H,4-5,8-10,14-15H2,1-3H3/t16-,17-,18-,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374665
PNG
(4-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CCC(O)C(F)(F)F |r|
Show InChI InChI=1S/C28H35Cl2F3N6O/c1-16-15-37(12-10-23(16)38-11-4-5-20(38)7-9-24(40)28(31,32)33)25-14-34-26-17(2)36-39(27(26)35-25)18(3)21-8-6-19(29)13-22(21)30/h6,8,13-14,16,18,20,23-24,40H,4-5,7,9-12,15H2,1-3H3/t16?,18-,20+,23?,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374672
PNG
(2-((S)-1-((3S,4R)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@@H](C)C1)N1CCC[C@H]1CCS(N)(=O)=O |r|
Show InChI InChI=1S/C26H35Cl2N7O2S/c1-16-15-33(11-8-23(16)34-10-4-5-20(34)9-12-38(29,36)37)24-14-30-25-17(2)32-35(26(25)31-24)18(3)21-7-6-19(27)13-22(21)28/h6-7,13-14,16,18,20,23H,4-5,8-12,15H2,1-3H3,(H2,29,36,37)/t16-,18+,20-,23?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374686
PNG
(3-(1′-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3...)
Show SMILES CCN1CCCC(C1)C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C27H36Cl2N6/c1-5-33-11-6-7-20(16-33)22-10-12-34(15-17(22)2)25-14-30-26-18(3)32-35(27(26)31-25)19(4)23-9-8-21(28)13-24(23)29/h8-9,13-14,17,19-20,22H,5-7,10-12,15-16H2,1-4H3/t17?,19-,20?,22?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374689
PNG
((4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C(O)=O |r,t:23|
Show InChI InChI=1S/C26H29Cl2N5O2/c1-14-11-17(6-9-22(14)32-10-4-5-23(32)26(34)35)21-13-29-24-15(2)31-33(25(24)30-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H,34,35)/t14?,16-,22?,23+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374700
PNG
(6-((4S,5R)-4-((S)-2-(Aminomethyl)pyrrolidin-1-yl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CN |r,t:24|
Show InChI InChI=1S/C26H29Cl2N7/c1-15-10-17(5-8-24(15)34-9-3-4-19(34)12-29)23-14-31-25-22(13-30)33-35(26(25)32-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,14-16,19,24H,3-4,8-10,12,29H2,1-2H3/t15-,16-,19+,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374637
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((2S)-2,5-di...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C)C(C[C@@H]1C)N1CCCC1 |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-32(16(2)11-22(15)31-9-5-6-10-31)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15?,16-,18+,22?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374664
PNG
(3-((R)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCN |r|
Show InChI InChI=1S/C26H35Cl2N7/c1-16-15-33(12-9-23(16)34-11-4-5-20(34)8-10-29)24-14-30-25-17(2)32-35(26(25)31-24)18(3)21-7-6-19(27)13-22(21)28/h6-7,13-14,16,18,20,23H,4-5,8-12,15,29H2,1-3H3/t16-,18-,20+,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374675
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CC(F)C(O)=O |r|
Show InChI InChI=1S/C27H33Cl2FN6O2/c1-15-14-34(10-8-23(15)35-9-4-5-19(35)12-22(30)27(37)38)24-13-31-25-16(2)33-36(26(25)32-24)17(3)20-7-6-18(28)11-21(20)29/h6-7,11,13,15,17,19,22-23H,4-5,8-10,12,14H2,1-3H3,(H,37,38)/t15?,17-,19+,22?,23?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374682
PNG
((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-m...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@@H](C1)C(N)=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H31Cl2N7O2/c1-14-23-25(34(31-14)15(2)18-6-5-16(26)10-20(18)27)30-22(11-29-23)32-9-7-21(19(12-32)24(28)36)33-8-3-4-17(33)13-35/h5-6,10-11,15,17,19,21,35H,3-4,7-9,12-13H2,1-2H3,(H2,28,36)/t15-,17+,19-,21?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374692
PNG
(3-((2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC(C)C(CC1)N1CCC[C@H]1CCC(O)=O |r,t:24|
Show InChI InChI=1S/C28H30Cl2N6O2/c1-16-12-18(5-9-25(16)35-11-3-4-20(35)7-10-26(37)38)24-15-32-27-23(14-31)34-36(28(27)33-24)17(2)21-8-6-19(29)13-22(21)30/h6,8,12-13,15-17,20,25H,3-5,7,9-11H2,1-2H3,(H,37,38)/t16?,17-,20+,25?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374701
PNG
(N—(((S)-1-((1S,6R)-4-(3-Cyano-1-((R)-1-(2,4-dichlo...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CNS(C)(=O)=O |r,t:24|
Show InChI InChI=1S/C27H31Cl2N7O2S/c1-16-11-18(6-9-25(16)35-10-4-5-20(35)14-32-39(3,37)38)24-15-31-26-23(13-30)34-36(27(26)33-24)17(2)21-8-7-19(28)12-22(21)29/h6-8,12,15-17,20,25,32H,4-5,9-11,14H2,1-3H3/t16-,17-,20+,25?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374704
PNG
(2-((2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15?,16-,17-,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374708
PNG
(US10246462, Example 89)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1CO)C(F)(F)F |r,t:22|
Show InChI InChI=1S/C26H28Cl2F3N5O/c1-14-10-16(5-8-22(14)35-9-3-4-18(35)13-37)21-12-32-23-24(26(29,30)31)34-36(25(23)33-21)15(2)19-7-6-17(27)11-20(19)28/h5-7,11-12,14-15,18,22,37H,3-4,8-10,13H2,1-2H3/t14?,15-,18+,22?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374622
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(2-methyl-[1,4&#...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(CC1)N1CCCCC1C
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-5-3-4-10-33(15)18-8-11-32(12-9-18)21-14-29-23-22(24(28)35)31-34(25(23)30-21)16(2)19-7-6-17(26)13-20(19)27/h6-7,13-16,18H,3-5,8-12H2,1-2H3,(H2,28,35)
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374656
PNG
((2S,4R)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1C[C@H](O)C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C25H30Cl2N6O3/c1-13-11-31(7-6-20(13)32-12-17(34)9-21(32)25(35)36)22-10-28-23-14(2)30-33(24(23)29-22)15(3)18-5-4-16(26)8-19(18)27/h4-5,8,10,13,15,17,20-21,34H,6-7,9,11-12H2,1-3H3,(H,35,36)/t13-,15-,17-,20+,21+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374645
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-fluoro...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC(C(F)C1)N1CCCCC1
Show InChI InChI=1S/C24H26Cl2FN7/c1-15(17-6-5-16(25)11-18(17)26)34-24-23(20(12-28)31-34)29-13-22(30-24)33-10-7-21(19(27)14-33)32-8-3-2-4-9-32/h5-6,11,13,15,19,21H,2-4,7-10,14H2,1H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374674
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES COC(C[C@@H]1CCCN1C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1)C(O)=O |r|
Show InChI InChI=1S/C28H36Cl2N6O3/c1-16-15-34(11-9-23(16)35-10-5-6-20(35)13-24(39-4)28(37)38)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-7-19(29)12-22(21)30/h7-8,12,14,16,18,20,23-24H,5-6,9-11,13,15H2,1-4H3,(H,37,38)/t16?,18-,20+,23?,24?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374634
PNG
(6-((3S,4R)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCCCCC1 |r|
Show InChI InChI=1S/C26H34Cl2N6/c1-17-16-33(13-10-23(17)32-11-6-4-5-7-12-32)24-15-29-25-18(2)31-34(26(25)30-24)19(3)21-9-8-20(27)14-22(21)28/h8-9,14-15,17,19,23H,4-7,10-13,16H2,1-3H3/t17-,19+,23+/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374659
PNG
(3-((3S,3′S,4′R)-1′-(1-((R)-1-(2,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@@H](C)C1)N1CCC[C@@H](CCC(O)=O)C1 |r|
Show InChI InChI=1S/C28H36Cl2N6O2/c1-17-15-35(12-10-24(17)34-11-4-5-20(16-34)6-9-26(37)38)25-14-31-27-18(2)33-36(28(27)32-25)19(3)22-8-7-21(29)13-23(22)30/h7-8,13-14,17,19-20,24H,4-6,9-12,15-16H2,1-3H3,(H,37,38)/t17-,19+,20-,24?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374660
PNG
(3-(1′-(1-((R)-1-(2,4-dichlorophenyl)ethyl)-3...)
Show SMILES CCOC(=O)CCC1CCCN(C1)C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r|
Show InChI InChI=1S/C30H40Cl2N6O2/c1-5-40-28(39)11-8-22-7-6-13-36(18-22)26-12-14-37(17-19(26)2)27-16-33-29-20(3)35-38(30(29)34-27)21(4)24-10-9-23(31)15-25(24)32/h9-10,15-16,19,21-22,26H,5-8,11-14,17-18H2,1-4H3/t19?,21-,22?,26?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374629
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N6/c1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27/h6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374677
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CC(F)(F)C(O)=O |r|
Show InChI InChI=1S/C27H32Cl2F2N6O2/c1-15-14-35(10-8-22(15)36-9-4-5-19(36)12-27(30,31)26(38)39)23-13-32-24-16(2)34-37(25(24)33-23)17(3)20-7-6-18(28)11-21(20)29/h6-7,11,13,15,17,19,22H,4-5,8-10,12,14H2,1-3H3,(H,38,39)/t15?,17-,19+,22?/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374640
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15?,16-,18+,22?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374669
PNG
(3-((2S)-1-((2S)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C[C@@H]1C)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H34Cl2N6O2/c1-16-13-21(34-11-4-5-20(34)7-9-25(36)37)10-12-33(16)24-15-30-26-17(2)32-35(27(26)31-24)18(3)22-8-6-19(28)14-23(22)29/h6,8,14-16,18,20-21H,4-5,7,9-13H2,1-3H3,(H,36,37)/t16-,18+,20-,21?/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374673
PNG
(2-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1C1CC1C(O)=O |r|
Show InChI InChI=1S/C28H34Cl2N6O2/c1-15-14-34(10-8-23(15)35-9-4-5-24(35)20-12-21(20)28(37)38)25-13-31-26-16(2)33-36(27(26)32-25)17(3)19-7-6-18(29)11-22(19)30/h6-7,11,13,15,17,20-21,23-24H,4-5,8-10,12,14H2,1-3H3,(H,37,38)/t15?,17-,20?,21?,23?,24+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374683
PNG
(((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)e...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@@H](C1)C(C)(C)O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C27H31Cl2N7O3/c1-15(17-7-6-16(28)11-19(17)29)36-25-24(20(12-30)33-36)31-13-23(32-25)34-10-8-21(18(14-34)27(2,3)39)35-9-4-5-22(35)26(37)38/h6-7,11,13,15,18,21-22,39H,4-5,8-10,14H2,1-3H3,(H,37,38)/t15-,18-,21?,22+/m1/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374651
PNG
(((S)-1-((3S,4R)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H32Cl2N6O/c1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27/h6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3/t15-,17+,19-,22+/m0/s1
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St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374653
PNG
(((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C25H30Cl2N6O2/c1-14-13-31(10-8-20(14)32-9-4-5-21(32)25(34)35)22-12-28-23-15(2)30-33(24(23)29-22)16(3)18-7-6-17(26)11-19(18)27/h6-7,11-12,14,16,20-21H,4-5,8-10,13H2,1-3H3,(H,34,35)/t14-,16-,20+,21+/m1/s1
UniProtKB/SwissProt

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n/an/a>500n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374675
PNG
(3-((2S)-1-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@H]1CC(F)C(O)=O |r|
Show InChI InChI=1S/C27H33Cl2FN6O2/c1-15-14-34(10-8-23(15)35-9-4-5-19(35)12-22(30)27(37)38)24-13-31-25-16(2)33-36(26(25)32-24)17(3)20-7-6-18(28)11-21(20)29/h6-7,11,13,15,17,19,22-23H,4-5,8-10,12,14H2,1-3H3,(H,37,38)/t15?,17-,19+,22?,23?/m1/s1
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n/an/a>500n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374690
PNG
(3-((S)-1-((1S,6R)-4-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r,t:23|
Show InChI InChI=1S/C28H33Cl2N5O2/c1-16-13-19(6-10-25(16)34-12-4-5-21(34)8-11-26(36)37)24-15-31-27-17(2)33-35(28(27)32-24)18(3)22-9-7-20(29)14-23(22)30/h6-7,9,14-16,18,21,25H,4-5,8,10-13H2,1-3H3,(H,36,37)/t16-,18-,21+,25?/m1/s1
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n/an/a>500n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374620
PNG
(Ethyl 6-([1,4′-bipiperidin]-1′-yl)-1-(...)
Show SMILES CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(cnc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C26H32Cl2N6O2/c1-3-36-26(35)24-23-25(34(31-24)17(2)20-8-7-18(27)15-21(20)28)30-22(16-29-23)33-13-9-19(10-14-33)32-11-5-4-6-12-32/h7-8,15-17,19H,3-6,9-14H2,1-2H3
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n/an/a>500n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM374643
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3′S,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@@H](C)C1)N1CCCCC1 |r|
Show InChI InChI=1S/C25H29Cl2N7/c1-16-15-33(11-8-22(16)32-9-4-3-5-10-32)23-14-29-24-21(13-28)31-34(25(24)30-23)17(2)19-7-6-18(26)12-20(19)27/h6-7,12,14,16-17,22H,3-5,8-11,15H2,1-2H3/t16-,17+,22?/m0/s1
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n/an/a>500n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%