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PubMed code 17532633

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214136
PNG
(4-(((4-nitrophenethyl)(1-(2,6-difluorobenzoyl)pipe...)
Show SMILES Cc1c(CN(CCc2ccc(cc2)[N+]([O-])=O)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H32F3N5O4/c1-21-27(31(41)39(36(21)2)25-12-8-23(33)9-13-25)20-38(17-14-22-6-10-26(11-7-22)40(43)44)24-15-18-37(19-16-24)32(42)30-28(34)4-3-5-29(30)35/h3-13,24H,14-20H2,1-2H3
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n/an/a 6.30n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214124
PNG
(4-(((4-nitrophenethyl)(1-(2,4-dimethylnicotinoyl)p...)
Show SMILES Cc1c(CN(CCc2ccc(cc2)[N+]([O-])=O)C2CCN(CC2)C(=O)c2c(C)ccnc2C)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C33H37FN6O4/c1-22-13-17-35-23(2)31(22)33(42)37-19-15-27(16-20-37)38(18-14-25-5-9-29(10-6-25)40(43)44)21-30-24(3)36(4)39(32(30)41)28-11-7-26(34)8-12-28/h5-13,17,27H,14-16,18-21H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214142
PNG
(4-(((4-nitrophenethyl)(1-picolinoylpiperidin-4-yl)...)
Show SMILES Cc1c(CN(CCc2ccc(cc2)[N+]([O-])=O)C2CCN(CC2)C(=O)c2ccccn2)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H33FN6O4/c1-22-28(30(39)37(34(22)2)26-12-8-24(32)9-13-26)21-36(18-14-23-6-10-27(11-7-23)38(41)42)25-15-19-35(20-16-25)31(40)29-5-3-4-17-33-29/h3-13,17,25H,14-16,18-21H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214121
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H32ClF3N4O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(34)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of calcium flux


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214121
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H32ClF3N4O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(34)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of eotaxin-induced eosinophil shape change


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214121
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H32ClF3N4O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(34)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214127
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccccn2)n1C
Show InChI InChI=1S/C31H32ClF2N5O2/c1-21-25(30(40)39(36(21)2)28-8-3-4-16-35-28)20-38(17-13-22-9-11-23(32)12-10-22)24-14-18-37(19-15-24)31(41)29-26(33)6-5-7-27(29)34/h3-12,16,24H,13-15,17-20H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214123
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C32H33ClF2N4O2/c1-22-27(31(40)39(36(22)2)26-7-4-3-5-8-26)21-38(18-15-23-11-13-24(33)14-12-23)25-16-19-37(20-17-25)32(41)30-28(34)9-6-10-29(30)35/h3-14,25H,15-21H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214140
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2F)n1C |(-3.72,-41.36,;-4.63,-40.11,;-4.15,-38.64,;-2.83,-37.86,;-2.84,-36.32,;-4.19,-35.56,;-4.2,-34.02,;-5.55,-33.27,;-5.56,-31.73,;-6.9,-30.98,;-8.23,-31.76,;-9.57,-31.01,;-8.21,-33.31,;-6.86,-34.06,;-1.52,-35.53,;-.17,-36.3,;1.15,-35.52,;1.14,-33.98,;-.2,-33.22,;-1.54,-34,;2.47,-33.2,;2.45,-31.66,;3.81,-33.96,;5.13,-33.18,;5.11,-31.64,;6.46,-33.93,;6.48,-35.48,;5.15,-36.26,;3.81,-35.5,;2.48,-36.28,;-5.4,-37.74,;-5.4,-36.2,;-6.64,-38.64,;-8.18,-38.62,;-8.96,-39.94,;-10.49,-39.94,;-11.26,-38.59,;-10.48,-37.26,;-8.94,-37.28,;-8.16,-35.95,;-6.17,-40.11,;-7.07,-41.36,)|
Show InChI InChI=1S/C32H32ClF3N4O2/c1-21-25(31(41)40(37(21)2)29-9-4-3-6-26(29)34)20-39(17-14-22-10-12-23(33)13-11-22)24-15-18-38(19-16-24)32(42)30-27(35)7-5-8-28(30)36/h3-13,24H,14-20H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214130
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(Cl)cc2)n1C
Show InChI InChI=1S/C32H32Cl2F2N4O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(34)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214133
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(N)cc2)n1C
Show InChI InChI=1S/C32H34ClF2N5O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(36)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(34)4-3-5-29(30)35/h3-13,25H,14-20,36H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214141
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(cc2)[N+]([O-])=O)n1C
Show InChI InChI=1S/C32H32ClF2N5O4/c1-21-27(31(41)39(36(21)2)25-10-12-26(13-11-25)40(43)44)20-38(17-14-22-6-8-23(33)9-7-22)24-15-18-37(19-16-24)32(42)30-28(34)4-3-5-29(30)35/h3-13,24H,14-20H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214132
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(O)cc2)n1C
Show InChI InChI=1S/C32H33ClF2N4O3/c1-21-27(31(41)39(36(21)2)25-10-12-26(40)13-11-25)20-38(17-14-22-6-8-23(33)9-7-22)24-15-18-37(19-16-24)32(42)30-28(34)4-3-5-29(30)35/h3-13,24,40H,14-20H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214137
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(C2CCCCC2)n1C
Show InChI InChI=1S/C32H39ClF2N4O2/c1-22-27(31(40)39(36(22)2)26-7-4-3-5-8-26)21-38(18-15-23-11-13-24(33)14-12-23)25-16-19-37(20-17-25)32(41)30-28(34)9-6-10-29(30)35/h6,9-14,25-26H,3-5,7-8,15-21H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214146
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES CN(C)c1ccc(cc1)-n1n(C)c(C)c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C34H38ClF2N5O2/c1-23-29(33(43)42(39(23)4)28-14-12-26(13-15-28)38(2)3)22-41(19-16-24-8-10-25(35)11-9-24)27-17-20-40(21-18-27)34(44)32-30(36)6-5-7-31(32)37/h5-15,27H,16-22H2,1-4H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214134
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES COc1ccc(cc1)-n1n(C)c(C)c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C33H35ClF2N4O3/c1-22-28(32(41)40(37(22)2)26-11-13-27(43-3)14-12-26)21-39(18-15-23-7-9-24(34)10-8-23)25-16-19-38(20-17-25)33(42)31-29(35)5-4-6-30(31)36/h4-14,25H,15-21H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214131
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2cnccc2Cl)n1C |(-1.41,-41.42,;-2.32,-40.18,;-1.84,-38.71,;-.52,-37.93,;-.53,-36.39,;-1.88,-35.63,;-1.89,-34.09,;-3.24,-33.34,;-3.25,-31.8,;-4.59,-31.04,;-5.92,-31.83,;-7.26,-31.08,;-5.9,-33.38,;-4.55,-34.12,;.79,-35.6,;2.14,-36.37,;3.46,-35.59,;3.45,-34.05,;2.11,-33.29,;.77,-34.07,;4.78,-33.27,;4.76,-31.73,;6.12,-34.03,;7.44,-33.25,;7.42,-31.71,;8.77,-34,;8.79,-35.55,;7.46,-36.33,;6.12,-35.57,;4.79,-36.35,;-3.09,-37.81,;-3.09,-36.27,;-4.33,-38.71,;-5.87,-38.69,;-6.65,-40.01,;-8.18,-40,;-8.95,-38.66,;-8.17,-37.33,;-6.57,-37.35,;-5.8,-36.01,;-3.86,-40.18,;-4.76,-41.42,)|
Show InChI InChI=1S/C31H31Cl2F2N5O2/c1-20-24(30(41)40(37(20)2)28-18-36-14-10-25(28)33)19-39(15-11-21-6-8-22(32)9-7-21)23-12-16-38(17-13-23)31(42)29-26(34)4-3-5-27(29)35/h3-10,14,18,23H,11-13,15-17,19H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214129
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2cccc(F)c2)n1C
Show InChI InChI=1S/C32H32ClF3N4O2/c1-21-27(31(41)40(37(21)2)26-6-3-5-24(34)19-26)20-39(16-13-22-9-11-23(33)12-10-22)25-14-17-38(18-15-25)32(42)30-28(35)7-4-8-29(30)36/h3-12,19,25H,13-18,20H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214145
PNG
(4-(((1-(1-naphthoyl)piperidin-4-yl)(4-phenylbutyl)...)
Show SMILES Cc1c(CN(CCCCc2ccccc2)C2CCN(CC2)C(=O)c2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C38H42N4O2/c1-29-36(38(44)42(39(29)2)33-19-7-4-8-20-33)28-41(25-12-11-16-30-14-5-3-6-15-30)32-23-26-40(27-24-32)37(43)35-22-13-18-31-17-9-10-21-34(31)35/h3-10,13-15,17-22,32H,11-12,16,23-28H2,1-2H3
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n/an/a 158n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214122
PNG
(4-(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C33H32ClF2N5O2/c1-22-28(32(42)41(38(22)2)27-12-8-24(20-37)9-13-27)21-40(17-14-23-6-10-25(34)11-7-23)26-15-18-39(19-16-26)33(43)31-29(35)4-3-5-30(31)36/h3-13,26H,14-19,21H2,1-2H3
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n/an/a 158n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214135
PNG
(4-(((4-fluorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES Cc1c(CN(CCc2ccc(F)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H32F4N4O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(34)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214143
PNG
(4-({[2-(4-chloro-phenyl)-ethyl]-[1-(1-oxy-pyridine...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2cccc[n+]2[O-])c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H33ClFN5O3/c1-22-28(30(39)38(34(22)2)27-12-10-25(33)11-13-27)21-36(18-14-23-6-8-24(32)9-7-23)26-15-19-35(20-16-26)31(40)29-5-3-4-17-37(29)41/h3-13,17,26H,14-16,18-21H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214125
PNG
(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)pip...)
Show SMILES COc1ccncc1-n1n(C)c(C)c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c1=O |(16.01,-34.03,;16.78,-35.36,;16.01,-36.7,;14.47,-36.68,;13.69,-38.01,;14.45,-39.35,;15.99,-39.36,;16.77,-38.04,;18.3,-38.06,;18.78,-39.53,;17.87,-40.77,;20.32,-39.53,;21.22,-40.77,;20.8,-38.06,;22.12,-37.28,;22.1,-35.74,;20.76,-34.98,;20.74,-33.44,;19.4,-32.69,;19.39,-31.15,;18.05,-30.39,;16.72,-31.18,;15.38,-30.43,;16.74,-32.73,;18.08,-33.47,;23.43,-34.95,;24.78,-35.72,;26.1,-34.94,;26.09,-33.4,;24.74,-32.64,;23.41,-33.42,;27.41,-32.62,;27.4,-31.08,;28.75,-33.38,;30.07,-32.6,;30.06,-31.06,;31.41,-33.35,;31.43,-34.9,;30.1,-35.68,;28.76,-34.92,;27.43,-35.69,;19.55,-37.16,;19.55,-35.62,)|
Show InChI InChI=1S/C32H34ClF2N5O3/c1-21-25(31(41)40(37(21)2)28-19-36-15-11-29(28)43-3)20-39(16-12-22-7-9-23(33)10-8-22)24-13-17-38(18-14-24)32(42)30-26(34)5-4-6-27(30)35/h4-11,15,19,24H,12-14,16-18,20H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214147
PNG
(CHEMBL392405 | N-(4-(4-(((4-chlorophenethyl)(1-(2,...)
Show SMILES CC(=O)Nc1ccc(cc1)-n1n(C)c(C)c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C34H36ClF2N5O3/c1-22-29(33(44)42(39(22)3)28-13-11-26(12-14-28)38-23(2)43)21-41(18-15-24-7-9-25(35)10-8-24)27-16-19-40(20-17-27)34(45)32-30(36)5-4-6-31(32)37/h4-14,27H,15-21H2,1-3H3,(H,38,43)
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n/an/a 400n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214128
PNG
(4-(((1-(2,6-difluorobenzoyl)piperidin-4-yl)(2-(pyr...)
Show SMILES Cc1c(CN(CCc2ccccn2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H32F3N5O2/c1-21-26(30(40)39(36(21)2)25-11-9-22(32)10-12-25)20-38(17-13-23-6-3-4-16-35-23)24-14-18-37(19-15-24)31(41)29-27(33)7-5-8-28(29)34/h3-12,16,24H,13-15,17-20H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214126
PNG
(4-(4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)...)
Show SMILES Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(cc2)C(O)=O)n1C
Show InChI InChI=1S/C33H33ClF2N4O4/c1-21-27(31(41)40(37(21)2)26-12-8-23(9-13-26)33(43)44)20-39(17-14-22-6-10-24(34)11-7-22)25-15-18-38(19-16-25)32(42)30-28(35)4-3-5-29(30)36/h3-13,25H,14-20H2,1-2H3,(H,43,44)
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n/an/a 2.50E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214139
PNG
(4-(((1-(2,6-difluorobenzoyl)piperidin-4-yl)(2-(pyr...)
Show SMILES Cc1c(CN(CCc2cccnc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H32F3N5O2/c1-21-26(30(40)39(36(21)2)25-10-8-23(32)9-11-25)20-38(16-12-22-5-4-15-35-19-22)24-13-17-37(18-14-24)31(41)29-27(33)6-3-7-28(29)34/h3-11,15,19,24H,12-14,16-18,20H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214144
PNG
(4-(((4-aminophenethyl)(1-(2,6-difluorobenzoyl)pipe...)
Show SMILES Cc1c(CN(CCc2ccc(N)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H34F3N5O2/c1-21-27(31(41)40(37(21)2)26-12-8-23(33)9-13-26)20-39(17-14-22-6-10-24(36)11-7-22)25-15-18-38(19-16-25)32(42)30-28(34)4-3-5-29(30)35/h3-13,25H,14-20,36H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50214138
PNG
(4-(2-((1-(2,6-difluorobenzoyl)piperidin-4-yl)((2-(...)
Show SMILES Cc1c(CN(CCc2ccc(cc2)S(N)(=O)=O)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C32H34F3N5O4S/c1-21-27(31(41)40(37(21)2)25-10-8-23(33)9-11-25)20-39(17-14-22-6-12-26(13-7-22)45(36,43)44)24-15-18-38(19-16-24)32(42)30-28(34)4-3-5-29(30)35/h3-13,24H,14-20H2,1-2H3,(H2,36,43,44)
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n/an/a>1.00E+4n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils


Bioorg Med Chem Lett 17: 4228-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.035
BindingDB Entry DOI: 10.7270/Q2VQ32CH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%