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50 similar compounds to monomer 50198942

Compile data set for download or QSAR
Wt: 517.7
BDBM50190516
Wt: 477.6
BDBM50190520
Wt: 463.6
BDBM50190524
Wt: 493.6
BDBM50198935
Wt: 533.7
BDBM50198936
Wt: 477.6
BDBM50198937
Wt: 493.6
BDBM50198938
Wt: 493.6
BDBM50198939
Wt: 477.6
BDBM50198940
Wt: 493.6
BDBM50198941
Wt: 477.6
BDBM50322256
Wt: 493.6
BDBM50322257
Wt: 511.6
BDBM50322260
Wt: 491.6
BDBM50322261
Wt: 463.6
BDBM50322262
Displayed 1 to 15 (of 50 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 50190516,50190520,50190524,50198935,50198936,50198937,50198938,50198939,50198940,50198941,50322256,50322257,50322260,50322261,50322262   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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 851n/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))
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 229n/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))
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))
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))
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 94n/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
Cytochrome P450 2C9


(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 5.90E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2C9


(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 5.50E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2C9


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



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2C9


(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 3.70E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2D6 (2D6)


(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 4.60E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2D6 (2D6)


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



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2D6 (2D6)


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



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2D6 (2D6)


(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 9.80E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 3A


(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 1.97E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 3A


(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 9.30E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 3A


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



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 3A


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



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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 94n/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))
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))
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 84n/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))
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))
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))
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
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 210n/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))
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))
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))
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 130n/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))
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))
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 400n/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))
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))
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))
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))
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))
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 79n/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))
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 84n/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))
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))
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



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-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))
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 94n/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
Cytochrome P450 3A


(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 9.30E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 2


(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>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2


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-X-C chemokine receptor type 4 (CXCR4)


(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>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4


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))
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 83n/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))
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))
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 170n/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 2


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



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2


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-X-C chemokine receptor type 4 (CXCR4)


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



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4


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-X-C chemokine receptor type 4 (CXCR4)


(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>1.00E+4n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4


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
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