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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50033711   
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))
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))
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 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))
BDBM50350064
PNG
(CHEMBL1813435)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350045
PNG
(CHEMBL1813270)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H43N3O5/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39)/t28-,29-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350060
PNG
(CHEMBL1813433)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41)/t28-,29-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350042
PNG
(CHEMBL1813450)
Show SMILES CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350054
PNG
(CHEMBL1813440)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 |r|
Show InChI InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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 5.60E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350046
PNG
(CHEMBL1813269)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350061
PNG
(CHEMBL1813432)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C34H46N4O5/c1-3-4-20-38-32(41)29(30(39)25-8-6-5-7-9-25)36-33(42)34(38)18-21-37(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)31(40)35-2/h10-17,25,29-30,39H,3-9,18-23H2,1-2H3,(H,35,40)(H,36,42)/t29-,30-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
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 7.80E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50350047
PNG
(CHEMBL1813459)
Show SMILES CCCCN1C(=O)C(NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)C(C)C
Show InChI InChI=1S/C28H37N3O3/c1-4-5-17-31-26(32)25(21(2)3)29-27(33)28(31)15-18-30(19-16-28)20-22-11-13-24(14-12-22)34-23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3,(H,29,33)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
BDBM50350055
PNG
(CHEMBL1813439)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCC1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350062
PNG
(CHEMBL1813447)
Show SMILES CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H42N4O5/c1-3-36-30(39)27(28(37)23-7-5-4-6-8-23)34-31(40)32(36)17-19-35(20-18-32)21-22-9-13-25(14-10-22)41-26-15-11-24(12-16-26)29(38)33-2/h9-16,23,27-28,37H,3-8,17-21H2,1-2H3,(H,33,38)(H,34,40)/t27-,28-/m1/s1
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n/an/a 2.00E+4n/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


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))
BDBM50350043
PNG
(CHEMBL1813449)
Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350037
PNG
(CHEMBL1813446)
Show SMILES CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C31H39N3O6/c1-2-34-28(36)26(27(35)22-6-4-3-5-7-22)32-30(39)31(34)16-18-33(19-17-31)20-21-8-12-24(13-9-21)40-25-14-10-23(11-15-25)29(37)38/h8-15,22,26-27,35H,2-7,16-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1
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n/an/a 2.30E+4n/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


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))
BDBM50350051
PNG
(CHEMBL1813443)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 |r,wU:7.37,34.38,(27.09,6.26,;26.32,4.93,;27.08,3.59,;26.3,2.26,;27.07,.92,;28.61,.91,;29.39,2.24,;29.37,-.43,;28.59,-1.76,;27.06,-1.75,;26.28,-3.08,;26.29,-.41,;25.52,-1.74,;23.99,-1.74,;23.23,-.4,;21.69,-.4,;20.92,.93,;19.38,.94,;18.61,2.27,;19.39,3.59,;18.62,4.93,;17.08,4.93,;16.31,3.61,;14.78,3.61,;14.02,4.94,;14.79,6.26,;16.31,6.26,;12.48,4.95,;11.71,6.29,;11.71,3.62,;20.92,3.6,;21.69,2.27,;23.99,.94,;25.53,.93,;30.91,-.44,;31.69,.89,;31.67,-1.78,;30.89,-3.11,;31.64,-4.44,;33.18,-4.46,;33.93,-5.81,;33.96,-3.14,;33.21,-1.79,)|
Show InChI InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1
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n/an/a 2.30E+4n/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


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))
BDBM50350056
PNG
(CHEMBL1813438)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC1 |r|
Show InChI InChI=1S/C31H39N3O6/c1-2-3-17-34-28(36)26(27(35)22-5-4-6-22)32-30(39)31(34)15-18-33(19-16-31)20-21-7-11-24(12-8-21)40-25-13-9-23(10-14-25)29(37)38/h7-14,22,26-27,35H,2-6,15-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1
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n/an/a 2.50E+4n/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


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))
BDBM50350064
PNG
(CHEMBL1813435)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1
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n/an/a 2.60E+4n/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


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))
BDBM50350043
PNG
(CHEMBL1813449)
Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1
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n/an/a 2.80E+4n/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


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


(Rattus norvegicus)
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 3.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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


(Oryctolagus cuniculus)
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 3.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit 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-X-C chemokine receptor type 4


(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 3.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 assessed as inhibition of SDF1-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))
BDBM50350041
PNG
(CHEMBL1813448)
Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
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n/an/a 3.00E+4n/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


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))
BDBM50350054
PNG
(CHEMBL1813440)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 |r|
Show InChI InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1
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n/an/a 3.20E+4n/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


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))
BDBM50350049
PNG
(CHEMBL1813454)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1
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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


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))
BDBM50350055
PNG
(CHEMBL1813439)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCC1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
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n/an/a 3.30E+4n/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


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 3.40E+4n/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


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))
BDBM50350059
PNG
(CHEMBL1813434)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(C)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H45N3O6S/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-26(13-11-24)42-27-14-16-28(17-15-27)43(2,40)41/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1
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n/an/a 3.40E+4n/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


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))
BDBM50350038
PNG
(CHEMBL1813451)
Show SMILES CCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C36H50N4O5/c1-3-4-5-9-22-40-34(43)31(32(41)27-10-7-6-8-11-27)38-35(44)36(40)20-23-39(24-21-36)25-26-12-16-29(17-13-26)45-30-18-14-28(15-19-30)33(42)37-2/h12-19,27,31-32,41H,3-11,20-25H2,1-2H3,(H,37,42)(H,38,44)/t31-,32-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350061
PNG
(CHEMBL1813432)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C34H46N4O5/c1-3-4-20-38-32(41)29(30(39)25-8-6-5-7-9-25)36-33(42)34(38)18-21-37(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)31(40)35-2/h10-17,25,29-30,39H,3-9,18-23H2,1-2H3,(H,35,40)(H,36,42)/t29-,30-/m1/s1
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n/an/a 3.80E+4n/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


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))
BDBM50350044
PNG
(CHEMBL1813271)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(N)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H44N4O5/c1-2-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(34)39/h9-16,24,28-29,38H,2-8,17-22H2,1H3,(H2,34,39)(H,35,41)/t28-,29-/m1/s1
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n/an/a 3.90E+4n/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


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))
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 4.40E+4n/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


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))
BDBM50350048
PNG
(CHEMBL1813457)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C32H39F3N4O5/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43)/t26-,27-/m1/s1
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n/an/a 4.60E+4n/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


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))
BDBM50350060
PNG
(CHEMBL1813433)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41)/t28-,29-/m1/s1
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n/an/a 4.80E+4n/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


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))
BDBM50350058
PNG
(CHEMBL1813436)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C(C)C |r|
Show InChI InChI=1S/C30H39N3O6/c1-4-5-16-33-27(35)25(26(34)20(2)3)31-29(38)30(33)14-17-32(18-15-30)19-21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)28(36)37/h6-13,20,25-26,34H,4-5,14-19H2,1-3H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1
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n/an/a 4.80E+4n/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


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))
BDBM50350063
PNG
(CHEMBL1813444)
Show SMILES CN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C30H37N3O6/c1-32-27(35)25(26(34)21-5-3-2-4-6-21)31-29(38)30(32)15-17-33(18-16-30)19-20-7-11-23(12-8-20)39-24-13-9-22(10-14-24)28(36)37/h7-14,21,25-26,34H,2-6,15-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1
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n/an/a 5.00E+4n/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


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))
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 5.10E+4n/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


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))
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 5.30E+4n/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


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))
BDBM50350040
PNG
(CHEMBL1813445)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(C)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C31H40N4O5/c1-32-28(37)23-10-14-25(15-11-23)40-24-12-8-21(9-13-24)20-35-18-16-31(17-19-35)30(39)33-26(29(38)34(31)2)27(36)22-6-4-3-5-7-22/h8-15,22,26-27,36H,3-7,16-20H2,1-2H3,(H,32,37)(H,33,39)/t26-,27-/m1/s1
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n/an/a 5.90E+4n/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


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))
BDBM50350056
PNG
(CHEMBL1813438)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC1 |r|
Show InChI InChI=1S/C31H39N3O6/c1-2-3-17-34-28(36)26(27(35)22-5-4-6-22)32-30(39)31(34)15-18-33(19-16-31)20-21-7-11-24(12-8-21)40-25-13-9-23(10-14-25)29(37)38/h7-14,22,26-27,35H,2-6,15-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350045
PNG
(CHEMBL1813270)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H43N3O5/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39)/t28-,29-/m1/s1
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n/an/a 6.80E+4n/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


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))
BDBM50350042
PNG
(CHEMBL1813450)
Show SMILES CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/m1/s1
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n/an/a 6.80E+4n/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


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))
BDBM50350057
PNG
(CHEMBL1813437)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CC1 |r|
Show InChI InChI=1S/C30H37N3O6/c1-2-3-16-33-27(35)25(26(34)21-6-7-21)31-29(38)30(33)14-17-32(18-15-30)19-20-4-10-23(11-5-20)39-24-12-8-22(9-13-24)28(36)37/h4-5,8-13,21,25-26,34H,2-3,6-7,14-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1
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n/an/a 8.10E+4n/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


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))
BDBM50350046
PNG
(CHEMBL1813269)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1
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n/an/a 9.10E+4n/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


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))
BDBM50350049
PNG
(CHEMBL1813454)
Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1
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n/an/a 9.80E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350038
PNG
(CHEMBL1813451)
Show SMILES CCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C36H50N4O5/c1-3-4-5-9-22-40-34(43)31(32(41)27-10-7-6-8-11-27)38-35(44)36(40)20-23-39(24-21-36)25-26-12-16-29(17-13-26)45-30-18-14-28(15-19-30)33(42)37-2/h12-19,27,31-32,41H,3-11,20-25H2,1-2H3,(H,37,42)(H,38,44)/t31-,32-/m1/s1
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n/an/a 1.10E+5n/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


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))
BDBM50350041
PNG
(CHEMBL1813448)
Show SMILES CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
Show InChI InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



Ono Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...


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))
BDBM50350053
PNG
(CHEMBL1813441)
Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCOCC1 |r|
Show InChI InChI=1S/C32H41N3O7/c1-2-3-16-35-29(37)27(28(36)23-12-19-41-20-13-23)33-31(40)32(35)14-17-34(18-15-32)21-22-4-8-25(9-5-22)42-26-10-6-24(7-11-26)30(38)39/h4-11,23,27-28,36H,2-3,12-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+5n/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


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
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