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Compile Data Set for Download or QSAR

Found 278 hits with Last Name = 'fukushima' and Initial = 'd'   
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))		BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 2.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198939
PNG
((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190525
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1
Show InChI InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32)
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n/an/a 4.5n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 5.62n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR lucifera...

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of MIP-1alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxis

Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 6.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 6.10n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 7.76n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR lucifera...

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190520
PNG
((RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)
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n/an/a 8.30n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198940
PNG
((3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50306055
PNG
((S)-4-(3-(2-(1-butyl-3-(cyclohexylmethyl)-2,5-diox...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(cc3)C(O)=O)c2)CC1 |r|
Show InChI InChI=1S/C34H45N3O5/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-33(41)34(37)17-21-36(22-18-34)20-16-26-10-7-11-29(23-26)42-28-14-12-27(13-15-28)32(39)40/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,41)(H,39,40)/t30-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization

Bioorg Med Chem Lett 20: 763-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.018
BindingDB Entry DOI: 10.7270/Q2NK3F4P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322288
PNG
(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 |r|
Show InChI InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322288
PNG
(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 |r|
Show InChI InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190524
PNG
(3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...)
Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)
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n/an/a 17n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190523
PNG
(1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)me...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30)
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n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322271
PNG
(CHEMBL1173007 | rac-1-Butyl-3-(cyclohexylmethyl)-9...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)nc2)CC1
Show InChI InChI=1S/C31H42N4O3/c1-2-3-18-35-29(36)27(21-24-10-6-4-7-11-24)33-30(37)31(35)16-19-34(20-17-31)23-25-14-15-28(32-22-25)38-26-12-8-5-9-13-26/h5,8-9,12-15,22,24,27H,2-4,6-7,10-11,16-21,23H2,1H3,(H,33,37)
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n/an/a 21n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198935
PNG
((R)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 28n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization

Bioorg Med Chem Lett 20: 763-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.018
BindingDB Entry DOI: 10.7270/Q2NK3F4P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 28n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322287
PNG
(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1 |r|
Show InChI InChI=1S/C32H44N4O5S/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-31(38)32(36)17-20-35(21-18-32)23-25-9-11-26(12-10-25)41-27-13-15-28(16-14-27)42(33,39)40/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,38)(H2,33,39,40)/t29-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 28n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190516
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenz...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)
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n/an/a 28n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198941
PNG
(1-butyl-3-(2-hydroxy-2-methyl-propyl)-9-(4-phenoxy...)
Show SMILES CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-26(33)25(20-28(2,3)35)30-27(34)29(32)15-18-31(19-16-29)21-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,25,35H,4-5,15-21H2,1-3H3,(H,30,34)
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n/an/a 28n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198937
PNG
((3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-...)
Show SMILES CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322285
PNG
(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1 |r|
Show InChI InChI=1S/C34H46N4O4/c1-3-4-20-38-32(40)30(23-25-8-6-5-7-9-25)36-33(41)34(38)18-21-37(22-19-34)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)31(39)35-2/h10-17,25,30H,3-9,18-24H2,1-2H3,(H,35,39)(H,36,41)/t30-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198939
PNG
((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322273
PNG
(CHEMBL1173133 | rac-1-Butyl-3-(cyclohexylmethyl)-9...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2c(C)nn(c2C)-c2ccccc2)CC1
Show InChI InChI=1S/C31H45N5O2/c1-4-5-18-35-29(37)28(21-25-12-8-6-9-13-25)32-30(38)31(35)16-19-34(20-17-31)22-27-23(2)33-36(24(27)3)26-14-10-7-11-15-26/h7,10-11,14-15,25,28H,4-6,8-9,12-13,16-22H2,1-3H3,(H,32,38)
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n/an/a 35n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190518
PNG
(1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...)
Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)
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n/an/a 38n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322286
PNG
(CHEMBL1170876 | N-[4-(4-{[(3S)-1-Butyl-3-(cyclohex...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1 |r|
Show InChI InChI=1S/C33H46N4O5S/c1-3-4-20-37-31(38)30(23-25-8-6-5-7-9-25)34-32(39)33(37)18-21-36(22-19-33)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)35-43(2,40)41/h10-17,25,30,35H,3-9,18-24H2,1-2H3,(H,34,39)/t30-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322284
PNG
((3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(4-hydroxyp...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1 |r|
Show InChI InChI=1S/C32H43N3O4/c1-2-3-19-35-30(37)29(22-24-7-5-4-6-8-24)33-31(38)32(35)17-20-34(21-18-32)23-25-9-13-27(14-10-25)39-28-15-11-26(36)12-16-28/h9-16,24,29,36H,2-8,17-23H2,1H3,(H,33,38)/t29-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50306053
PNG
((S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-hydroxyph...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(O)cc3)c2)CC1 |r|
Show InChI InChI=1S/C33H45N3O4/c1-2-3-19-36-31(38)30(24-25-8-5-4-6-9-25)34-32(39)33(36)17-21-35(22-18-33)20-16-26-10-7-11-29(23-26)40-28-14-12-27(37)13-15-28/h7,10-15,23,25,30,37H,2-6,8-9,16-22,24H2,1H3,(H,34,39)/t30-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization

Bioorg Med Chem Lett 20: 763-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.018
BindingDB Entry DOI: 10.7270/Q2NK3F4P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336346
PNG
(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336345
PNG
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 assessed as inhibition of RANTES-induced calcium mobilization

Bioorg Med Chem 19: 4028-42 (2011)


Article DOI: 10.1016/j.bmc.2011.05.022
BindingDB Entry DOI: 10.7270/Q2H70G5Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322262
PNG
(CHEMBL1171291 | rac-1-Butyl-9-(4-phenoxybenzyl)-3-...)
Show SMILES CCCCN1C(=O)C(CCC)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H37N3O3/c1-3-5-18-31-26(32)25(9-4-2)29-27(33)28(31)16-19-30(20-17-28)21-22-12-14-24(15-13-22)34-23-10-7-6-8-11-23/h6-8,10-15,25H,3-5,9,16-21H2,1-2H3,(H,29,33)
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n/an/a 50n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190513
PNG
((RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrob...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)
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n/an/a 50n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization

Bioorg Med Chem Lett 20: 763-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.018
BindingDB Entry DOI: 10.7270/Q2NK3F4P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50190521
PNG
(9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,...)
Show SMILES CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1
Show InChI InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34)
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n/an/a 50n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization

J Med Chem 49: 4140-52 (2006)


Article DOI: 10.1021/jm060051s
BindingDB Entry DOI: 10.7270/Q2ZG6T1S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50336348
PNG
(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Show SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322263
PNG
(CHEMBL1170694 | rac-1-Butyl-3-(cyclopentylmethyl)-...)
Show SMILES CCCCN1C(=O)C(CC2CCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H41N3O3/c1-2-3-19-34-29(35)28(22-24-9-7-8-10-24)32-30(36)31(34)17-20-33(21-18-31)23-25-13-15-27(16-14-25)37-26-11-5-4-6-12-26/h4-6,11-16,24,28H,2-3,7-10,17-23H2,1H3,(H,32,36)
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n/an/a 52n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198942
PNG
((S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198936
PNG
((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
Show InChI InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay

Bioorg Med Chem Lett 21: 1141-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.109
BindingDB Entry DOI: 10.7270/Q24T6JP0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322259
PNG
(CHEMBL1171096 | rac-1-(2-Butynyl)-3-isobutyl-9-(4-...)
Show SMILES CC#CCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H35N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,15-21H2,1-3H3,(H,30,34)
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n/an/a 54n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322280
PNG
(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,...)
Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2)CC1 |r|
Show InChI InChI=1S/C33H44N4O3/c1-2-3-20-37-31(39)29(23-25-10-6-4-7-11-25)35-32(40)33(37)18-21-36(22-19-33)24-26-14-16-27(17-15-26)30(38)34-28-12-8-5-9-13-28/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,34,38)(H,35,40)/t29-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50198938
PNG
((S)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells

Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50322258
PNG
(CHEMBL1171095 | rac-1-[(2E)-2-Butenyl]-3-isobutyl-...)
Show SMILES C\C=C\CN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C29H37N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h4-14,22,26H,15-21H2,1-3H3,(H,30,34)/b5-4+
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n/an/a 69n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization

Bioorg Med Chem 18: 5208-23 (2010)


Article DOI: 10.1016/j.bmc.2010.05.057
BindingDB Entry DOI: 10.7270/Q25H7H7B
More data for this
Ligand-Target Pair
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