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PubMed code 15026036

Compile data set for download or QSAR
Found 91 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))		BDBM50142370
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-napht...)
Show SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29-,33-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142347
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142356
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C32H36Cl2N4O3S/c33-24-12-13-26(27(34)18-24)32-38(21-30(40)35-14-7-17-37-15-4-1-5-16-37)31(41)28(42-32)19-29(39)36-20-23-10-6-9-22-8-2-3-11-25(22)23/h2-3,6,8-13,18,28,32H,1,4-5,7,14-17,19-21H2,(H,35,40)(H,36,39)/t28-,32-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142349
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[((R)-1...)
Show SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-19(20-6-3-2-4-7-20)32-25(35)17-24-27(37)34(28(39-24)22-9-8-21(29)16-23(22)30)18-26(36)31-10-5-11-33-12-14-38-15-13-33/h2-4,6-9,16,19,24,28H,5,10-15,17-18H2,1H3,(H,31,36)(H,32,35)/t19-,24-,28-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142403
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-napht...)
Show SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C32H36Cl2N4O4S/c1-21(24-9-4-7-22-6-2-3-8-25(22)24)36-29(39)19-28-31(41)38(32(43-28)26-11-10-23(33)18-27(26)34)20-30(40)35-12-5-13-37-14-16-42-17-15-37/h2-4,6-11,18,21,28,32H,5,12-17,19-20H2,1H3,(H,35,40)(H,36,39)/t21-,28-,32-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142349
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[((R)-1...)
Show SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-19(20-6-3-2-4-7-20)32-25(35)17-24-27(37)34(28(39-24)22-9-8-21(29)16-23(22)30)18-26(36)31-10-5-11-33-12-14-38-15-13-33/h2-4,6-9,16,19,24,28H,5,10-15,17-18H2,1H3,(H,31,36)(H,32,35)/t19-,24-,28-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142390
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCCC2)c(Cl)c1
Show InChI InChI=1S/C31H34Cl2N4O3S/c32-23-11-12-25(26(33)17-23)31-37(20-29(39)34-13-6-16-36-14-3-4-15-36)30(40)27(41-31)18-28(38)35-19-22-9-5-8-21-7-1-2-10-24(21)22/h1-2,5,7-12,17,27,31H,3-4,6,13-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142385
PNG
(2-[(2R,5R)-3-(2-[1,4']Bipiperidinyl-1'-yl-2-oxo-et...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N4O3S/c35-25-11-12-28(29(36)19-25)34-40(22-32(42)39-17-13-26(14-18-39)38-15-4-1-5-16-38)33(43)30(44-34)20-31(41)37-21-24-9-6-8-23-7-2-3-10-27(23)24/h2-3,6-12,19,26,30,34H,1,4-5,13-18,20-22H2,(H,37,41)/t30-,34-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142372
PNG
(2-[(2R,5R)-5-{[(Benzo[b]thiophen-3-ylmethyl)-carba...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3csc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H32Cl2N4O4S2/c30-20-6-7-22(23(31)14-20)29-35(17-27(37)32-8-3-9-34-10-12-39-13-11-34)28(38)25(41-29)15-26(36)33-16-19-18-40-24-5-2-1-4-21(19)24/h1-2,4-7,14,18,25,29H,3,8-13,15-17H2,(H,32,37)(H,33,36)/t25-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142428
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES CN(C)CCCN(C)C(=O)CN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H34Cl2N4O3S/c1-34(2)14-7-15-35(3)28(38)19-36-29(39)26(40-30(36)24-13-12-22(31)16-25(24)32)17-27(37)33-18-21-10-6-9-20-8-4-5-11-23(20)21/h4-6,8-13,16,26,30H,7,14-15,17-19H2,1-3H3,(H,33,37)/t26-,30-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142350
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES CN(C)CCCNC(=O)CN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H32Cl2N4O3S/c1-34(2)14-6-13-32-27(37)18-35-28(38)25(39-29(35)23-12-11-21(30)15-24(23)31)16-26(36)33-17-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-12,15,25,29H,6,13-14,16-18H2,1-2H3,(H,32,37)(H,33,36)/t25-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142375
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C32H36Cl2N4O4S/c33-24-10-11-26(27(34)18-24)32-38(21-30(40)35-12-3-4-13-37-14-16-42-17-15-37)31(41)28(43-32)19-29(39)36-20-23-8-5-7-22-6-1-2-9-25(22)23/h1-2,5-11,18,28,32H,3-4,12-17,19-21H2,(H,35,40)(H,36,39)/t28-,32-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142363
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H33Cl3N4O4S/c1-18-19(4-2-5-22(18)30)16-33-25(36)15-24-27(38)35(28(40-24)21-7-6-20(29)14-23(21)31)17-26(37)32-8-3-9-34-10-12-39-13-11-34/h2,4-7,14,24,28H,3,8-13,15-17H2,1H3,(H,32,37)(H,33,36)/t24-,28-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142392
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(2,3-dimethy...)
Show SMILES Cc1cccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c1C
Show InChI InChI=1S/C29H36Cl2N4O4S/c1-19-5-3-6-21(20(19)2)17-33-26(36)16-25-28(38)35(29(40-25)23-8-7-22(30)15-24(23)31)18-27(37)32-9-4-10-34-11-13-39-14-12-34/h3,5-8,15,25,29H,4,9-14,16-18H2,1-2H3,(H,32,37)(H,33,36)/t25-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142379
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES CN1CCN(CCCNC(=O)CN2[C@H](S[C@H](CC(=O)NCc3cccc4ccccc34)C2=O)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C32H37Cl2N5O3S/c1-37-14-16-38(17-15-37)13-5-12-35-30(41)21-39-31(42)28(43-32(39)26-11-10-24(33)18-27(26)34)19-29(40)36-20-23-8-4-7-22-6-2-3-9-25(22)23/h2-4,6-11,18,28,32H,5,12-17,19-21H2,1H3,(H,35,41)(H,36,40)/t28-,32-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142348
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-3-[2-oxo-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)N2CCC(CC2)N2CCCC2)c(Cl)c1
Show InChI InChI=1S/C33H36Cl2N4O3S/c34-24-10-11-27(28(35)18-24)33-39(21-31(41)38-16-12-25(13-17-38)37-14-3-4-15-37)32(42)29(43-33)19-30(40)36-20-23-8-5-7-22-6-1-2-9-26(22)23/h1-2,5-11,18,25,29,33H,3-4,12-17,19-21H2,(H,36,40)/t29-,33-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142364
PNG
(2-((1R,4R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-23-9-10-25(26(33)17-23)31-37(20-29(39)34-11-4-12-36-13-15-41-16-14-36)30(40)27(42-31)18-28(38)35-19-22-7-3-6-21-5-1-2-8-24(21)22/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142415
PNG
(2-[(2R,5R)-5-[(2,3-Dichloro-benzylcarbamoyl)-methy...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc(Cl)c3Cl)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C27H30Cl4N4O4S/c28-18-5-6-19(21(30)13-18)27-35(16-24(37)32-7-2-8-34-9-11-39-12-10-34)26(38)22(40-27)14-23(36)33-15-17-3-1-4-20(29)25(17)31/h1,3-6,13,22,27H,2,7-12,14-16H2,(H,32,37)(H,33,36)/t22-,27-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142384
PNG
(2-((1R,4R)-2-(4-Chloro-phenyl)-5-{[(naphthalen-1-y...)
Show SMILES Clc1ccc(cc1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN4O4S/c32-25-11-9-23(10-12-25)31-36(21-29(38)33-13-4-14-35-15-17-40-18-16-35)30(39)27(41-31)19-28(37)34-20-24-7-3-6-22-5-1-2-8-26(22)24/h1-3,5-12,27,31H,4,13-21H2,(H,33,38)(H,34,37)/t27-,31-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142352
PNG
(2-[(2R,5R)-5-[(3-Chloro-benzylcarbamoyl)-methyl]-2...)
Show SMILES Clc1cccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H31Cl3N4O4S/c28-19-4-1-3-18(13-19)16-32-24(35)15-23-26(37)34(27(39-23)21-6-5-20(29)14-22(21)30)17-25(36)31-7-2-8-33-9-11-38-12-10-33/h1,3-6,13-14,23,27H,2,7-12,15-17H2,(H,31,36)(H,32,35)/t23-,27-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142371
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(1H-indol-5...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3ccc4[nH]ccc4c3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2N5O4S/c30-21-3-4-22(23(31)15-21)29-36(18-27(38)33-7-1-9-35-10-12-40-13-11-35)28(39)25(41-29)16-26(37)34-17-19-2-5-24-20(14-19)6-8-32-24/h2-6,8,14-15,25,29,32H,1,7,9-13,16-18H2,(H,33,38)(H,34,37)/t25-,29-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142413
PNG
(2-((1R,4R)-2-(2-Chloro-4-fluoro-phenyl)-5-{[(napht...)
Show SMILES Fc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C31H34ClFN4O4S/c32-26-17-23(33)9-10-25(26)31-37(20-29(39)34-11-4-12-36-13-15-41-16-14-36)30(40)27(42-31)18-28(38)35-19-22-7-3-6-21-5-1-2-8-24(21)22/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142429
PNG
(2-((1R,4R)-2-(2,4-Difluoro-phenyl)-5-{[(naphthalen...)
Show SMILES Fc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(F)c1
Show InChI InChI=1S/C31H34F2N4O4S/c32-23-9-10-25(26(33)17-23)31-37(20-29(39)34-11-4-12-36-13-15-41-16-14-36)30(40)27(42-31)18-28(38)35-19-22-7-3-6-21-5-1-2-8-24(21)22/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142405
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[(3-tri...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C28H31Cl2F3N4O4S/c29-20-5-6-21(22(30)14-20)27-37(17-25(39)34-7-2-8-36-9-11-41-12-10-36)26(40)23(42-27)15-24(38)35-16-18-3-1-4-19(13-18)28(31,32)33/h1,3-6,13-14,23,27H,2,7-12,15-17H2,(H,34,39)(H,35,38)/t23-,27-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142411
PNG
(2-[(2R,5R)-5-{[(Biphenyl-3-ylmethyl)-carbamoyl]-me...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc(c3)-c3ccccc3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H36Cl2N4O4S/c34-26-10-11-27(28(35)19-26)33-39(22-31(41)36-12-5-13-38-14-16-43-17-15-38)32(42)29(44-33)20-30(40)37-21-23-6-4-9-25(18-23)24-7-2-1-3-8-24/h1-4,6-11,18-19,29,33H,5,12-17,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142402
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-3-(2-oxo-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)N2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C28H28Cl2N4O3S/c29-20-8-9-22(23(30)14-20)28-34(17-26(36)33-12-10-31-11-13-33)27(37)24(38-28)15-25(35)32-16-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,24,28,31H,10-13,15-17H2,(H,32,35)/t24-,28-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142432
PNG
(2-[(2R,5R)-5-[(3,5-Dichloro-benzylcarbamoyl)-methy...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cc(Cl)cc(Cl)c3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C27H30Cl4N4O4S/c28-18-2-3-21(22(31)13-18)27-35(16-25(37)32-4-1-5-34-6-8-39-9-7-34)26(38)23(40-27)14-24(36)33-15-17-10-19(29)12-20(30)11-17/h2-3,10-13,23,27H,1,4-9,14-16H2,(H,32,37)(H,33,36)/t23-,27-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142421
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3-fluoro-be...)
Show SMILES Fc1cccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C27H31Cl2FN4O4S/c28-19-5-6-21(22(29)14-19)27-34(17-25(36)31-7-2-8-33-9-11-38-12-10-33)26(37)23(39-27)15-24(35)32-16-18-3-1-4-20(30)13-18/h1,3-6,13-14,23,27H,2,7-12,15-17H2,(H,31,36)(H,32,35)/t23-,27-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142383
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3-methyl-be...)
Show SMILES Cc1cccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-19-4-2-5-20(14-19)17-32-25(35)16-24-27(37)34(28(39-24)22-7-6-21(29)15-23(22)30)18-26(36)31-8-3-9-33-10-12-38-13-11-33/h2,4-7,14-15,24,28H,3,8-13,16-18H2,1H3,(H,31,36)(H,32,35)/t24-,28-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142395
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H38Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-4-1-5-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-6-8-23-7-2-3-10-26(23)24/h2-3,6-12,19,29,33H,1,4-5,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142380
PNG
(2-(2-(4-Chloro-phenyl)-5-{[(naphthalen-1-ylmethyl)...)
Show SMILES Clc1ccc(cc1)C1SC(CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN4O4S/c32-25-11-9-23(10-12-25)31-36(21-29(38)33-13-4-14-35-15-17-40-18-16-35)30(39)27(41-31)19-28(37)34-20-24-7-3-6-22-5-1-2-8-26(22)24/h1-3,5-12,27,31H,4,13-21H2,(H,33,38)(H,34,37)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142380
PNG
(2-(2-(4-Chloro-phenyl)-5-{[(naphthalen-1-ylmethyl)...)
Show SMILES Clc1ccc(cc1)C1SC(CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN4O4S/c32-25-11-9-23(10-12-25)31-36(21-29(38)33-13-4-14-35-15-17-40-18-16-35)30(39)27(41-31)19-28(37)34-20-24-7-3-6-22-5-1-2-8-26(22)24/h1-3,5-12,27,31H,4,13-21H2,(H,33,38)(H,34,37)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142409
PNG
(2-[(2R,5R)-5-{[(Biphenyl-4-ylmethyl)-carbamoyl]-me...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3ccc(cc3)-c3ccccc3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H36Cl2N4O4S/c34-26-11-12-27(28(35)19-26)33-39(22-31(41)36-13-4-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-23-7-9-25(10-8-23)24-5-2-1-3-6-24/h1-3,5-12,19,29,33H,4,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142388
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(1,5-dimeth...)
Show SMILES Cc1ccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)n1C
Show InChI InChI=1S/C27H35Cl2N5O4S/c1-18-4-6-20(32(18)2)16-31-24(35)15-23-26(37)34(27(39-23)21-7-5-19(28)14-22(21)29)17-25(36)30-8-3-9-33-10-12-38-13-11-33/h4-7,14,23,27H,3,8-13,15-17H2,1-2H3,(H,30,36)(H,31,35)/t23-,27-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142425
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(2-fluoro-3-...)
Show SMILES Fc1c(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C28H30Cl2F4N4O4S/c29-18-5-6-19(21(30)13-18)27-38(16-24(40)35-7-2-8-37-9-11-42-12-10-37)26(41)22(43-27)14-23(39)36-15-17-3-1-4-20(25(17)31)28(32,33)34/h1,3-6,13,22,27H,2,7-12,14-16H2,(H,35,40)(H,36,39)/t22-,27-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142408
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-5-((R)-indan-1-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)N[C@@H]3CCc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H34Cl2N4O4S/c30-20-7-8-22(23(31)16-20)29-35(18-27(37)32-10-3-11-34-12-14-39-15-13-34)28(38)25(40-29)17-26(36)33-24-9-6-19-4-1-2-5-21(19)24/h1-2,4-5,7-8,16,24-25,29H,3,6,9-15,17-18H2,(H,32,37)(H,33,36)/t24-,25-,29-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142355
PNG
(2-[(2R,5R)-5-[(2,4-Dichloro-benzylcarbamoyl)-methy...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl4N4O4S/c28-18-3-2-17(21(30)12-18)15-33-24(36)14-23-26(38)35(27(40-23)20-5-4-19(29)13-22(20)31)16-25(37)32-6-1-7-34-8-10-39-11-9-34/h2-5,12-13,23,27H,1,6-11,14-16H2,(H,32,37)(H,33,36)/t23-,27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142355
PNG
(2-[(2R,5R)-5-[(2,4-Dichloro-benzylcarbamoyl)-methy...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl4N4O4S/c28-18-3-2-17(21(30)12-18)15-33-24(36)14-23-26(38)35(27(40-23)20-5-4-19(29)13-22(20)31)16-25(37)32-6-1-7-34-8-10-39-11-9-34/h2-5,12-13,23,27H,1,6-11,14-16H2,(H,32,37)(H,33,36)/t23-,27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142378
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-3-(3-oxo-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CCC(=O)N2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C29H30Cl2N4O3S/c30-21-8-9-23(24(31)16-21)29-35(13-10-27(37)34-14-11-32-12-15-34)28(38)25(39-29)17-26(36)33-18-20-6-3-5-19-4-1-2-7-22(19)20/h1-9,16,25,29,32H,10-15,17-18H2,(H,33,36)/t25-,29-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142407
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C30H32Cl2N4O4S/c31-22-8-9-24(25(32)16-22)30-36(19-28(38)33-10-11-35-12-14-40-15-13-35)29(39)26(41-30)17-27(37)34-18-21-6-3-5-20-4-1-2-7-23(20)21/h1-9,16,26,30H,10-15,17-19H2,(H,33,38)(H,34,37)/t26-,30-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142424
PNG
(2-[(2R,5R)-5-[(2,5-Dichloro-benzylcarbamoyl)-methy...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cc(Cl)ccc3Cl)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C27H30Cl4N4O4S/c28-18-3-5-21(30)17(12-18)15-33-24(36)14-23-26(38)35(27(40-23)20-4-2-19(29)13-22(20)31)16-25(37)32-6-1-7-34-8-10-39-11-9-34/h2-5,12-13,23,27H,1,6-11,14-16H2,(H,32,37)(H,33,36)/t23-,27-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142416
PNG
(2-((1R,4R)-2-(4-Fluoro-phenyl)-5-{[(naphthalen-1-y...)
Show SMILES Fc1ccc(cc1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35FN4O4S/c32-25-11-9-23(10-12-25)31-36(21-29(38)33-13-4-14-35-15-17-40-18-16-35)30(39)27(41-31)19-28(37)34-20-24-7-3-6-22-5-1-2-8-26(22)24/h1-3,5-12,27,31H,4,13-21H2,(H,33,38)(H,34,37)/t27-,31-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142357
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(3-dimethylam...)
Show SMILES CN(C)CCCN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O2S/c1-31(2)13-6-14-32-26(34)24(35-27(32)22-12-11-20(28)15-23(22)29)16-25(33)30-17-19-9-5-8-18-7-3-4-10-21(18)19/h3-5,7-12,15,24,27H,6,13-14,16-17H2,1-2H3,(H,30,33)/t24-,27-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142358
PNG
(2-[(2R,5R)-5-{[(Biphenyl-2-ylmethyl)-carbamoyl]-me...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3ccccc3-c3ccccc3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H36Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-6-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-4-5-10-26(24)23-7-2-1-3-8-23/h1-5,7-12,19,29,33H,6,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142354
PNG
(2-[(2R,5R)-5-[(4-Chloro-3-trifluoromethyl-benzylca...)
Show SMILES FC(F)(F)c1cc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)ccc1Cl
Show InChI InChI=1S/C28H30Cl3F3N4O4S/c29-18-3-4-19(22(31)13-18)27-38(16-25(40)35-6-1-7-37-8-10-42-11-9-37)26(41)23(43-27)14-24(39)36-15-17-2-5-21(30)20(12-17)28(32,33)34/h2-5,12-13,23,27H,1,6-11,14-16H2,(H,35,40)(H,36,39)/t23-,27-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142404
PNG
(2-[(2R,5R)-5-[(Benzhydryl-carbamoyl)-methyl]-2-(2,...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NC(c3ccccc3)c3ccccc3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C33H36Cl2N4O4S/c34-25-12-13-26(27(35)20-25)33-39(22-30(41)36-14-7-15-38-16-18-43-19-17-38)32(42)28(44-33)21-29(40)37-31(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,28,31,33H,7,14-19,21-22H2,(H,36,41)(H,37,40)/t28-,33-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142399
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[(1,2,3...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NC3CCCc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C30H36Cl2N4O4S/c31-21-9-10-23(24(32)17-21)30-36(19-28(38)33-11-4-12-35-13-15-40-16-14-35)29(39)26(41-30)18-27(37)34-25-8-3-6-20-5-1-2-7-22(20)25/h1-2,5,7,9-10,17,25-26,30H,3-4,6,8,11-16,18-19H2,(H,33,38)(H,34,37)/t25?,26-,30-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142426
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(furan-2-yl...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3ccco3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O5S/c26-17-4-5-19(20(27)13-17)25-31(16-23(33)28-6-2-7-30-8-11-35-12-9-30)24(34)21(37-25)14-22(32)29-15-18-3-1-10-36-18/h1,3-5,10,13,21,25H,2,6-9,11-12,14-16H2,(H,28,33)(H,29,32)/t21-,25-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142365
PNG
(2-((1R,4R)-2-(3-Chloro-phenyl)-5-{[(naphthalen-1-y...)
Show SMILES Clc1cccc(c1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN4O4S/c32-25-10-4-8-23(18-25)31-36(21-29(38)33-12-5-13-35-14-16-40-17-15-35)30(39)27(41-31)19-28(37)34-20-24-9-3-7-22-6-1-2-11-26(22)24/h1-4,6-11,18,27,31H,5,12-17,19-21H2,(H,33,38)(H,34,37)/t27-,31-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142361
PNG
(2-[(2R,5R)-5-Cyclohexylcarbamoylmethyl-2-(2,4-dich...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NC3CCCCC3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C26H36Cl2N4O4S/c27-18-7-8-20(21(28)15-18)26-32(17-24(34)29-9-4-10-31-11-13-36-14-12-31)25(35)22(37-26)16-23(33)30-19-5-2-1-3-6-19/h7-8,15,19,22,26H,1-6,9-14,16-17H2,(H,29,34)(H,30,33)/t22-,26-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142397
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((S)-1-napht...)
Show SMILES C[C@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C32H36Cl2N4O4S/c1-21(24-9-4-7-22-6-2-3-8-25(22)24)36-29(39)19-28-31(41)38(32(43-28)26-11-10-23(33)18-27(26)34)20-30(40)35-12-5-13-37-14-16-42-17-15-37/h2-4,6-11,18,21,28,32H,5,12-17,19-20H2,1H3,(H,35,40)(H,36,39)/t21-,28+,32+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142406
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES CN1CCC(CC1)NC(=O)CN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl2N4O3S/c1-35-13-11-22(12-14-35)34-28(38)18-36-29(39)26(40-30(36)24-10-9-21(31)15-25(24)32)16-27(37)33-17-20-7-4-6-19-5-2-3-8-23(19)20/h2-10,15,22,26,30H,11-14,16-18H2,1H3,(H,33,37)(H,34,38)/t26-,30-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142362
PNG
(2-((1R,4R)-2-(2,6-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1cccc(Cl)c1[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-24-10-4-11-25(33)29(24)31-37(20-28(39)34-12-5-13-36-14-16-41-17-15-36)30(40)26(42-31)18-27(38)35-19-22-8-3-7-21-6-1-2-9-23(21)22/h1-4,6-11,26,31H,5,12-20H2,(H,34,39)(H,35,38)/t26-,31-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142430
PNG
(CHEMBL42786 | N-(2-Amino-ethyl)-3-((2R,5R)-2-(2,4-...)
Show SMILES NCCNC(=O)CCN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H28Cl2N4O3S/c28-19-8-9-21(22(29)14-19)27-33(13-10-24(34)31-12-11-30)26(36)23(37-27)15-25(35)32-16-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14,23,27H,10-13,15-16,30H2,(H,31,34)(H,32,35)/t23-,27-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142401
PNG
(2-((1R,4R)-2-(3,5-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1cc(Cl)cc(c1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-24-15-23(16-25(33)17-24)31-37(20-29(39)34-9-4-10-36-11-13-41-14-12-36)30(40)27(42-31)18-28(38)35-19-22-7-3-6-21-5-1-2-8-26(21)22/h1-3,5-8,15-17,27,31H,4,9-14,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142382
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(2-morpholin-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C28H29Cl2N3O3S/c29-21-8-9-23(24(30)16-21)28-33(11-10-32-12-14-36-15-13-32)27(35)25(37-28)17-26(34)31-18-20-6-3-5-19-4-1-2-7-22(19)20/h1-9,16,25,28H,10-15,17-18H2,(H,31,34)/t25-,28-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142423
PNG
(2-[(2R,5R)-5-[(2-Chloro-benzylcarbamoyl)-methyl]-2...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3ccccc3Cl)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C27H31Cl3N4O4S/c28-19-6-7-20(22(30)14-19)27-34(17-25(36)31-8-3-9-33-10-12-38-13-11-33)26(37)23(39-27)15-24(35)32-16-18-4-1-2-5-21(18)29/h1-2,4-7,14,23,27H,3,8-13,15-17H2,(H,31,36)(H,32,35)/t23-,27-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142427
PNG
(2-((1R,4R)-2-(2-Chloro-phenyl)-5-{[(naphthalen-1-y...)
Show SMILES Clc1ccccc1[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN4O4S/c32-26-12-4-3-11-25(26)31-36(21-29(38)33-13-6-14-35-15-17-40-18-16-35)30(39)27(41-31)19-28(37)34-20-23-9-5-8-22-7-1-2-10-24(22)23/h1-5,7-12,27,31H,6,13-21H2,(H,33,38)(H,34,37)/t27-,31-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142419
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-3-[2-(2-dimethy...)
Show SMILES CN(C)CC(=O)NCCN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H30Cl2N4O3S/c1-33(2)17-26(36)31-12-13-34-27(37)24(38-28(34)22-11-10-20(29)14-23(22)30)15-25(35)32-16-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,24,28H,12-13,15-17H2,1-2H3,(H,31,36)(H,32,35)/t24-,28-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142353
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-(thiazo...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)Nc3nccs3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C23H27Cl2N5O4S2/c24-15-2-3-16(17(25)12-15)22-30(14-20(32)26-4-1-6-29-7-9-34-10-8-29)21(33)18(36-22)13-19(31)28-23-27-5-11-35-23/h2-3,5,11-12,18,22H,1,4,6-10,13-14H2,(H,26,32)(H,27,28,31)/t18-,22-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142431
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-{[(thio...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccs3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N4O4S2/c26-17-4-5-19(20(27)13-17)25-31(16-23(33)28-6-2-7-30-8-10-35-11-9-30)24(34)21(37-25)14-22(32)29-15-18-3-1-12-36-18/h1,3-5,12-13,21,25H,2,6-11,14-16H2,(H,28,33)(H,29,32)/t21-,25-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142414
PNG
(2-((1R,4R)-2-(2,4-Dimethyl-phenyl)-5-{[(naphthalen...)
Show SMILES Cc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(C)c1
Show InChI InChI=1S/C33H40N4O4S/c1-23-11-12-27(24(2)19-23)33-37(22-31(39)34-13-6-14-36-15-17-41-18-16-36)32(40)29(42-33)20-30(38)35-21-26-9-5-8-25-7-3-4-10-28(25)26/h3-5,7-12,19,29,33H,6,13-18,20-22H2,1-2H3,(H,34,39)(H,35,38)/t29-,33-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142418
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(2-methyl-be...)
Show SMILES Cc1ccccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-19-5-2-3-6-20(19)17-32-25(35)16-24-27(37)34(28(39-24)22-8-7-21(29)15-23(22)30)18-26(36)31-9-4-10-33-11-13-38-14-12-33/h2-3,5-8,15,24,28H,4,9-14,16-18H2,1H3,(H,31,36)(H,32,35)/t24-,28-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142367
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[(2,3,4...)
Show SMILES COc1ccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c(OC)c1OC
Show InChI InChI=1S/C30H38Cl2N4O7S/c1-40-23-8-5-19(27(41-2)28(23)42-3)17-34-25(37)16-24-29(39)36(30(44-24)21-7-6-20(31)15-22(21)32)18-26(38)33-9-4-10-35-11-13-43-14-12-35/h5-8,15,24,30H,4,9-14,16-18H2,1-3H3,(H,33,38)(H,34,37)/t24-,30-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142394
PNG
(CHEMBL44187 | N-(3-Morpholin-4-yl-propyl)-2-[(1R,4...)
Show SMILES FC(F)(F)c1cccc(c1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H35F3N4O4S/c33-32(34,35)25-10-4-8-23(18-25)31-39(21-29(41)36-12-5-13-38-14-16-43-17-15-38)30(42)27(44-31)19-28(40)37-20-24-9-3-7-22-6-1-2-11-26(22)24/h1-4,6-11,18,27,31H,5,12-17,19-21H2,(H,36,41)(H,37,40)/t27-,31-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142377
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-4-oxo-5-[((S)-1...)
Show SMILES C[C@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-19(20-6-3-2-4-7-20)32-25(35)17-24-27(37)34(28(39-24)22-9-8-21(29)16-23(22)30)18-26(36)31-10-5-11-33-12-14-38-15-13-33/h2-4,6-9,16,19,24,28H,5,10-15,17-18H2,1H3,(H,31,36)(H,32,35)/t19-,24+,28+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142389
PNG
(2-((1R,4R)-2-(2,5-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc(Cl)c(c1)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-23-9-10-26(33)25(17-23)31-37(20-29(39)34-11-4-12-36-13-15-41-16-14-36)30(40)27(42-31)18-28(38)35-19-22-7-3-6-21-5-1-2-8-24(21)22/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142410
PNG
(2-((2R,5R)-2-(2,4-Dichloro-phenyl)-5-{[2-(3,4-dich...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCCc3ccc(Cl)c(Cl)c3)C(=O)N2CC(=O)NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C28H32Cl4N4O4S/c29-19-3-4-20(22(31)15-19)28-36(17-26(38)33-7-1-9-35-10-12-40-13-11-35)27(39)24(41-28)16-25(37)34-8-6-18-2-5-21(30)23(32)14-18/h2-5,14-15,24,28H,1,6-13,16-17H2,(H,33,38)(H,34,37)/t24-,28-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142373
PNG
(2-((1R,4R)-2-(2,3-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1cccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c1Cl
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-25-11-4-10-24(29(25)33)31-37(20-28(39)34-12-5-13-36-14-16-41-17-15-36)30(40)26(42-31)18-27(38)35-19-22-8-3-7-21-6-1-2-9-23(21)22/h1-4,6-11,26,31H,5,12-20H2,(H,34,39)(H,35,38)/t26-,31-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142376
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(4-morpholin-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N3O3S/c31-23-10-11-25(26(32)18-23)30-35(13-4-3-12-34-14-16-38-17-15-34)29(37)27(39-30)19-28(36)33-20-22-8-5-7-21-6-1-2-9-24(21)22/h1-2,5-11,18,27,30H,3-4,12-17,19-20H2,(H,33,36)/t27-,30-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142422
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3-methyl-bu...)
Show SMILES CC(C)CCNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H36Cl2N4O4S/c1-17(2)6-8-29-22(32)15-21-24(34)31(25(36-21)19-5-4-18(26)14-20(19)27)16-23(33)28-7-3-9-30-10-12-35-13-11-30/h4-5,14,17,21,25H,3,6-13,15-16H2,1-2H3,(H,28,33)(H,29,32)/t21-,25-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142381
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-3-[2-(4-methyl-...)
Show SMILES CN1CCN(CC1)C(=O)CN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H30Cl2N4O3S/c1-33-11-13-34(14-12-33)27(37)18-35-28(38)25(39-29(35)23-10-9-21(30)15-24(23)31)16-26(36)32-17-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15,25,29H,11-14,16-18H2,1H3,(H,32,36)/t25-,29-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142387
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3,3-dimethy...)
Show SMILES CC(C)(C)CCNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H38Cl2N4O4S/c1-26(2,3)7-9-30-22(33)16-21-24(35)32(25(37-21)19-6-5-18(27)15-20(19)28)17-23(34)29-8-4-10-31-11-13-36-14-12-31/h5-6,15,21,25H,4,7-14,16-17H2,1-3H3,(H,29,34)(H,30,33)/t21-,25-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142368
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-3-[2-(3-morphol...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CCNS(=O)(=O)CCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C31H36Cl2N4O5S2/c32-24-9-10-26(27(33)19-24)31-37(13-11-35-44(40,41)18-4-12-36-14-16-42-17-15-36)30(39)28(43-31)20-29(38)34-21-23-7-3-6-22-5-1-2-8-25(22)23/h1-3,5-10,19,28,31,35H,4,11-18,20-21H2,(H,34,38)/t28-,31-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142420
PNG
(2-((1R,4R)-2-(3,4-Dichloro-phenyl)-5-{[(naphthalen...)
Show SMILES Clc1ccc(cc1Cl)[C@H]1S[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CC(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H34Cl2N4O4S/c32-25-10-9-22(17-26(25)33)31-37(20-29(39)34-11-4-12-36-13-15-41-16-14-36)30(40)27(42-31)18-28(38)35-19-23-7-3-6-21-5-1-2-8-24(21)23/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,34,39)(H,35,38)/t27-,31-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142398
PNG
(2-((1R,4R)-2-Furan-2-yl-5-{[(naphthalen-1-ylmethyl...)
Show SMILES O=C(C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccco1)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H34N4O5S/c34-26(31-19-22-8-3-7-21-6-1-2-9-23(21)22)18-25-28(36)33(29(39-25)24-10-4-15-38-24)20-27(35)30-11-5-12-32-13-16-37-17-14-32/h1-4,6-10,15,25,29H,5,11-14,16-20H2,(H,30,35)(H,31,34)/t25-,29-/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142391
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(2,4-dimetho...)
Show SMILES COc1ccc(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)c2ccc(Cl)cc2Cl)c(OC)c1
Show InChI InChI=1S/C29H36Cl2N4O6S/c1-39-21-6-4-19(24(15-21)40-2)17-33-26(36)16-25-28(38)35(29(42-25)22-7-5-20(30)14-23(22)31)18-27(37)32-8-3-9-34-10-12-41-13-11-34/h4-7,14-15,25,29H,3,8-13,16-18H2,1-2H3,(H,32,37)(H,33,36)/t25-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142412
PNG
(CHEMBL417712 | N-(3-Morpholin-4-yl-propyl)-2-((1R,...)
Show SMILES O=C(C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1cccs1)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H34N4O4S2/c34-26(31-19-22-8-3-7-21-6-1-2-9-23(21)22)18-25-28(36)33(29(39-25)24-10-4-17-38-24)20-27(35)30-11-5-12-32-13-15-37-16-14-32/h1-4,6-10,17,25,29H,5,11-16,18-20H2,(H,30,35)(H,31,34)/t25-,29-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142393
PNG
(2-((1R,4R)-2-(2,4-Dimethoxy-phenyl)-5-{[(naphthale...)
Show SMILES COc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C33H40N4O6S/c1-41-25-11-12-27(28(19-25)42-2)33-37(22-31(39)34-13-6-14-36-15-17-43-18-16-36)32(40)29(44-33)20-30(38)35-21-24-9-5-8-23-7-3-4-10-26(23)24/h3-5,7-12,19,29,33H,6,13-18,20-22H2,1-2H3,(H,34,39)(H,35,38)/t29-,33-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142366
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(3-morpholin-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H31Cl2N3O3S/c30-22-9-10-24(25(31)17-22)29-34(12-4-11-33-13-15-37-16-14-33)28(36)26(38-29)18-27(35)32-19-21-7-3-6-20-5-1-2-8-23(20)21/h1-3,5-10,17,26,29H,4,11-16,18-19H2,(H,32,35)/t26-,29-/m1/s1
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142359
PNG
(CHEMBL44262 | N-(3-Morpholin-4-yl-propyl)-2-((1R,4...)
Show SMILES O=C(C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccncc1)NCc1cccc2ccccc12
Show InChI InChI=1S/C30H35N5O4S/c36-27(33-20-24-7-3-6-22-5-1-2-8-25(22)24)19-26-29(38)35(30(40-26)23-9-12-31-13-10-23)21-28(37)32-11-4-14-34-15-17-39-18-16-34/h1-3,5-10,12-13,26,30H,4,11,14-21H2,(H,32,37)(H,33,36)/t26-,30-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142369
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(2-dimethylam...)
Show SMILES CN(C)CCN1[C@H](S[C@H](CC(=O)NCc2cccc3ccccc23)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl2N3O2S/c1-30(2)12-13-31-25(33)23(34-26(31)21-11-10-19(27)14-22(21)28)15-24(32)29-16-18-8-5-7-17-6-3-4-9-20(17)18/h3-11,14,23,26H,12-13,15-16H2,1-2H3,(H,29,32)/t23-,26-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142351
PNG
(CHEMBL42360 | N-(3-Morpholin-4-yl-propyl)-2-((1R,4...)
Show SMILES O=C(C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccsc1)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H34N4O4S2/c34-26(31-18-22-7-3-6-21-5-1-2-8-24(21)22)17-25-28(36)33(29(39-25)23-9-16-38-20-23)19-27(35)30-10-4-11-32-12-14-37-15-13-32/h1-3,5-9,16,20,25,29H,4,10-15,17-19H2,(H,30,35)(H,31,34)/t25-,29-/m1/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142417
PNG
(2-((1R,4R)-2-Furan-3-yl-5-{[(naphthalen-1-ylmethyl...)
Show SMILES O=C(C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccoc1)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H34N4O5S/c34-26(31-18-22-7-3-6-21-5-1-2-8-24(21)22)17-25-28(36)33(29(39-25)23-9-14-38-20-23)19-27(35)30-10-4-11-32-12-15-37-16-13-32/h1-3,5-9,14,20,25,29H,4,10-13,15-19H2,(H,30,35)(H,31,34)/t25-,29-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142396
PNG
(2-((1R,4R)-2-Benzyl-5-{[(naphthalen-1-ylmethyl)-ca...)
Show SMILES O=C(C[C@H]1S[C@H](Cc2ccccc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C32H38N4O4S/c37-29(34-22-26-12-6-11-25-10-4-5-13-27(25)26)21-28-32(39)36(31(41-28)20-24-8-2-1-3-9-24)23-30(38)33-14-7-15-35-16-18-40-19-17-35/h1-6,8-13,28,31H,7,14-23H2,(H,33,38)(H,34,37)/t28-,31-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142374
PNG
(2-[(2R,5R)-2-(2,4-Dichloro-phenyl)-3-(3-morpholin-...)
Show SMILES Clc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2Cc2cccc(CN3CCOCC3)c2)c(Cl)c1
Show InChI InChI=1S/C34H33Cl2N3O3S/c35-27-11-12-29(30(36)18-27)34-39(22-24-6-3-5-23(17-24)21-38-13-15-42-16-14-38)33(41)31(43-34)19-32(40)37-20-26-9-4-8-25-7-1-2-10-28(25)26/h1-12,17-18,31,34H,13-16,19-22H2,(H,37,40)/t31-,34-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142386
PNG
(2-((1R,4R)-2-Cyclohexyl-5-{[(naphthalen-1-ylmethyl...)
Show SMILES O=C(C[C@H]1S[C@H](C2CCCCC2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C31H42N4O4S/c36-28(33-21-25-12-6-11-23-8-4-5-13-26(23)25)20-27-30(38)35(31(40-27)24-9-2-1-3-10-24)22-29(37)32-14-7-15-34-16-18-39-19-17-34/h4-6,8,11-13,24,27,31H,1-3,7,9-10,14-22H2,(H,32,37)(H,33,36)/t27-,31-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142360
PNG
(CHEMBL296245 | N-(3-Morpholin-4-yl-propyl)-2-((1R,...)
Show SMILES O=C(C[C@H]1S[C@H](CCc2ccccc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C33H40N4O4S/c38-30(35-23-27-12-6-11-26-10-4-5-13-28(26)27)22-29-33(40)37(32(42-29)15-14-25-8-2-1-3-9-25)24-31(39)34-16-7-17-36-18-20-41-21-19-36/h1-6,8-13,29,32H,7,14-24H2,(H,34,39)(H,35,38)/t29-,32-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142400
PNG
(2-((1R,4R)-2-(2,4-Bis-trifluoromethyl-phenyl)-5-{[...)
Show SMILES FC(F)(F)c1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N2CC(=O)NCCCN2CCOCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C33H34F6N4O4S/c34-32(35,36)23-9-10-25(26(17-23)33(37,38)39)31-43(20-29(45)40-11-4-12-42-13-15-47-16-14-42)30(46)27(48-31)18-28(44)41-19-22-7-3-6-21-5-1-2-8-24(21)22/h1-3,5-10,17,27,31H,4,11-16,18-20H2,(H,40,45)(H,41,44)/t27-,31-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-MDC binding to human Chemokine receptor type 4 expressed in murine pre-B cells

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142347
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of MDC-stimulated chemotaxis in transfected murine cell line expressing human chemokine receptor 4

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50142370
PNG
(2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-napht...)
Show SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29-,33-/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of MDC-stimulated chemotaxis in transfected murine cell line expressing human chemokine receptor 4

Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
BindingDB Entry DOI: 10.7270/Q2W37VRK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%