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PubMed code 17314043

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205760
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES CCc1cccc(CC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H37BrClN3O3/c1-3-23-6-5-7-24(4-2)29(23)35-30(37)34-21-31(38)14-16-36(17-15-31)19-25-18-26(32)10-13-28(25)39-20-22-8-11-27(33)12-9-22/h5-13,18,38H,3-4,14-17,19-21H2,1-2H3,(H2,34,35,37)
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n/an/a 11n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205764
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H33BrClN3O5/c1-37-25-4-3-5-26(38-2)27(25)33-28(35)32-19-29(36)12-14-34(15-13-29)17-21-16-22(30)8-11-24(21)39-18-20-6-9-23(31)10-7-20/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35)
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n/an/a 27n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205757
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C33H41BrClN3O3/c1-22(2)28-6-5-7-29(23(3)4)31(28)37-32(39)36-21-33(40)14-16-38(17-15-33)19-25-18-26(34)10-13-30(25)41-20-24-8-11-27(35)12-9-24/h5-13,18,22-23,40H,14-17,19-21H2,1-4H3,(H2,36,37,39)
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n/an/a 35n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205777
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES Cc1cccc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H33BrClN3O3/c1-20-4-3-5-21(2)27(20)33-28(35)32-19-29(36)12-14-34(15-13-29)17-23-16-24(30)8-11-26(23)37-18-22-6-9-25(31)10-7-22/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35)
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n/an/a 47n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205754
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4...)
Show SMILES OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H21BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11,18,23H,7-10,12-13H2
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n/an/a 49n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205781
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES OC1(CNC(=O)Nc2c(Cl)cccc2Cl)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H27BrCl3N3O3/c28-20-6-9-24(37-16-18-4-7-21(29)8-5-18)19(14-20)15-34-12-10-27(36,11-13-34)17-32-26(35)33-25-22(30)2-1-3-23(25)31/h1-9,14,36H,10-13,15-17H2,(H2,32,33,35)
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n/an/a 57n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205776
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES Cc1cc(C)c(NC(=O)NCC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1
Show InChI InChI=1S/C30H35BrClN3O3/c1-20-14-21(2)28(22(3)15-20)34-29(36)33-19-30(37)10-12-35(13-11-30)17-24-16-25(31)6-9-27(24)38-18-23-4-7-26(32)8-5-23/h4-9,14-16,37H,10-13,17-19H2,1-3H3,(H2,33,34,36)
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n/an/a 100n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205775
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-3...)
Show SMILES OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 |w:1.0|
Show InChI InChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2
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n/an/a 150n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205755
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(=O)CC2)cc1
Show InChI InChI=1S/C19H19BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11H,7-10,12-13H2
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n/an/a 150n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205780
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H32Br2ClN3O3/c1-19-13-24(31)14-20(2)27(19)34-28(36)33-18-29(37)9-11-35(12-10-29)16-22-15-23(30)5-8-26(22)38-17-21-3-6-25(32)7-4-21/h3-8,13-15,37H,9-12,16-18H2,1-2H3,(H2,33,34,36)
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n/an/a 170n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205767
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-((4-meth...)
Show SMILES CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C25H33BrClN3O2/c1-28-12-14-30(15-13-28)19-25(31)8-10-29(11-9-25)17-21-16-22(26)4-7-24(21)32-18-20-2-5-23(27)6-3-20/h2-7,16,31H,8-15,17-19H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205762
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-fluoropi...)
Show SMILES FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H20BrClFNO/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-23-9-7-18(22)8-10-23/h1-6,11,18H,7-10,12-13H2
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n/an/a 280n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205772
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES OC1(CNC(=O)Nc2c(F)cccc2F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H27BrClF2N3O3/c28-20-6-9-24(37-16-18-4-7-21(29)8-5-18)19(14-20)15-34-12-10-27(36,11-13-34)17-32-26(35)33-25-22(30)2-1-3-23(25)31/h1-9,14,36H,10-13,15-17H2,(H2,32,33,35)
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n/an/a 320n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205753
PNG
(1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidi...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1
Show InChI InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2
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n/an/a 350n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205763
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidin-...)
Show SMILES OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 |w:1.0|
Show InChI InChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2
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n/an/a 350n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205774
PNG
(CHEMBL394256 | N-(1-(2-(4-chlorobenzyloxy)-5-bromo...)
Show SMILES CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24BrClN2O2/c1-15(26)24-20-8-10-25(11-9-20)13-17-12-18(22)4-7-21(17)27-14-16-2-5-19(23)6-3-16/h2-7,12,20H,8-11,13-14H2,1H3,(H,24,26)
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n/an/a 390n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205749
PNG
(CHEMBL234843 | methyl 1-(2-(4-chlorobenzyloxy)-5-b...)
Show SMILES COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24BrClN2O3/c1-27-21(26)24-19-8-10-25(11-9-19)13-16-12-17(22)4-7-20(16)28-14-15-2-5-18(23)6-3-15/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)
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n/an/a 400n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205769
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES OC1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H26BrCl4N3O3/c28-19-3-6-24(38-15-17-1-4-20(29)5-2-17)18(11-19)14-35-9-7-27(37,8-10-35)16-33-26(36)34-25-22(31)12-21(30)13-23(25)32/h1-6,11-13,37H,7-10,14-16H2,(H2,33,34,36)
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n/an/a 450n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205768
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethoxypi...)
Show SMILES CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H25BrClNO2/c1-2-25-20-9-11-24(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20H,2,9-12,14-15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205761
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(trifluo...)
Show SMILES OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C20H20BrClF3NO2/c21-16-3-6-18(28-13-14-1-4-17(22)5-2-14)15(11-16)12-26-9-7-19(27,8-10-26)20(23,24)25/h1-6,11,27H,7-10,12-13H2
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n/an/a 580n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205758
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(aminome...)
Show SMILES NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H24BrClN2O2/c21-17-3-6-19(26-13-15-1-4-18(22)5-2-15)16(11-17)12-24-9-7-20(25,14-23)8-10-24/h1-6,11,25H,7-10,12-14,23H2
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n/an/a 580n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50197772
PNG
((2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethyl...)
Show SMILES CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50197788
PNG
(4-(2-(4-chlorobenzyloxy)-5-bromobenzyl)morpholine ...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1
Show InChI InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205773
PNG
(CHEMBL233385 | N-(2-(4-chlorobenzyloxy)-5-bromoben...)
Show SMILES CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17BrClNO/c1-2-19-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9,19H,2,10-11H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205759
PNG
(1-[5-bromo-2-(4-chloro-benzyloxy)-benzyl]-4-(4-hyd...)
Show SMILES OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C25H32BrClN2O3/c26-21-3-6-24(32-17-19-1-4-22(27)5-2-19)20(15-21)16-28-13-9-25(31,10-14-28)18-29-11-7-23(30)8-12-29/h1-6,15,23,30-31H,7-14,16-18H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205770
PNG
(CHEMBL232412 | ethyl 1-(2-(4-chlorobenzyloxy)-5-br...)
Show SMILES CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H25BrClNO3/c1-2-27-22(26)17-9-11-25(12-10-17)14-18-13-19(23)5-8-21(18)28-15-16-3-6-20(24)7-4-16/h3-8,13,17H,2,9-12,14-15H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205747
PNG
((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-...)
Show SMILES NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H24BrClN2O/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-9-7-15(12-23)8-10-24/h1-6,11,15H,7-10,12-14,23H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205752
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidine...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1
Show InChI InChI=1S/C18H19BrClNO/c19-16-5-8-18(15(11-16)12-21-9-1-2-10-21)22-13-14-3-6-17(20)7-4-14/h3-8,11H,1-2,9-10,12-13H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50197778
PNG
(CHEMBL234634 | N-(2-(4-chlorobenzyloxy)-5-bromoben...)
Show SMILES CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205756
PNG
(1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydr...)
Show SMILES OC1(CNC(=O)Nc2ccc(F)cc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H28BrClFN3O3/c28-21-3-10-25(36-17-19-1-4-22(29)5-2-19)20(15-21)16-33-13-11-27(35,12-14-33)18-31-26(34)32-24-8-6-23(30)7-9-24/h1-10,15,35H,11-14,16-18H2,(H2,31,32,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205765
PNG
((2-(4-chlorobenzyloxy)-5-bromophenyl)methanamine |...)
Show SMILES NCc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C14H13BrClNO/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7H,8-9,17H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205771
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-N-ethylpip...)
Show SMILES CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H26BrClN2O/c1-2-24-20-9-11-25(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20,24H,2,9-12,14-15H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205751
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4...)
Show SMILES NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C19H22BrClN2O/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-23-9-7-18(22)8-10-23/h1-6,11,18H,7-10,12-13,22H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205766
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(4-bromo...)
Show SMILES OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H24Br2ClNO2/c26-21-5-3-20(4-6-21)25(30)11-13-29(14-12-25)16-19-15-22(27)7-10-24(19)31-17-18-1-8-23(28)9-2-18/h1-10,15,30H,11-14,16-17H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205750
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidine-...)
Show SMILES OC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21BrClNO3/c21-17-3-6-19(26-13-14-1-4-18(22)5-2-14)16(11-17)12-23-9-7-15(8-10-23)20(24)25/h1-6,11,15H,7-10,12-13H2,(H,24,25)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205779
PNG
(CHEMBL233635 | N-(2-(4-chlorobenzyloxy)-5-bromoben...)
Show SMILES CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H21BrClNO/c1-25(14-17-5-3-2-4-6-17)15-19-13-20(23)9-12-22(19)26-16-18-7-10-21(24)11-8-18/h2-13H,14-16H2,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205778
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethylpip...)
Show SMILES CCN1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H24BrClN2O/c1-2-23-9-11-24(12-10-23)14-17-13-18(21)5-8-20(17)25-15-16-3-6-19(22)7-4-16/h3-8,13H,2,9-12,14-15H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50205748
PNG
(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperazine ...)
Show SMILES Clc1ccc(COc2ccc(Br)cc2CN2CCNCC2)cc1
Show InChI InChI=1S/C18H20BrClN2O/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-22-9-7-21-8-10-22/h1-6,11,21H,7-10,12-13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells coexpressing CD4

Bioorg Med Chem Lett 17: 1883-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.050
BindingDB Entry DOI: 10.7270/Q29Z94KR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%