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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50022069   
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))
BDBM50231346
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
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n/an/a 0.00400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231377
PNG
(1-((2R,3S)-4-((cyclopropylmethyl)(3-(4-fluoropheny...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC2CC2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C28H38FN7O2/c1-4-20-14-23(27-32-33-34-35(27)3)16-25(15-20)31-28(38)30-19(2)26(37)18-36(17-22-7-8-22)13-5-6-21-9-11-24(29)12-10-21/h9-12,14-16,19,22,26,37H,4-8,13,17-18H2,1-3H3,(H2,30,31,38)/t19-,26+/m1/s1
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n/an/a 0.00500n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil at 30 nM


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231350
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-13-22(26-31-32-33-34(26)3)15-24(14-19)30-27(37)29-18(2)25(36)17-35-11-5-6-21(16-35)12-20-7-9-23(28)10-8-20/h7-10,13-15,18,21,25,36H,4-6,11-12,16-17H2,1-3H3,(H2,29,30,37)/t18-,21+,25+/m1/s1
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n/an/a 0.0130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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n/an/a 0.0380n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231371
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C24H32FN7O2/c1-4-32(14-6-7-18-10-12-20(25)13-11-18)16-22(33)17(2)26-24(34)27-21-9-5-8-19(15-21)23-28-29-30-31(23)3/h5,8-13,15,17,22,33H,4,6-7,14,16H2,1-3H3,(H2,26,27,34)/t17-,22+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231360
PNG
(1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(propyl)am...)
Show SMILES CCCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H34FN7O2/c1-4-14-33(15-6-7-19-10-12-21(26)13-11-19)17-23(34)18(2)27-25(35)28-22-9-5-8-20(16-22)24-29-30-31-32(24)3/h5,8-13,16,18,23,34H,4,6-7,14-15,17H2,1-3H3,(H2,27,28,35)/t18-,23+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231354
PNG
(1-((2R,3S)-4-(ethyl((S)-4-(4-fluorophenyl)butan-2-...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)CCc1ccc(F)cc1
Show InChI InChI=1S/C27H38FN7O2/c1-6-20-14-22(26-31-32-33-34(26)5)16-24(15-20)30-27(37)29-19(4)25(36)17-35(7-2)18(3)8-9-21-10-12-23(28)13-11-21/h10-16,18-19,25,36H,6-9,17H2,1-5H3,(H2,29,30,37)/t18-,19+,25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231358
PNG
(1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231379
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CNCCCc2ccc(F)cc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C24H32FN7O2/c1-4-17-12-19(23-29-30-31-32(23)3)14-21(13-17)28-24(34)27-16(2)22(33)15-26-11-5-6-18-7-9-20(25)10-8-18/h7-10,12-14,16,22,26,33H,4-6,11,15H2,1-3H3,(H2,27,28,34)/t16-,22+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231376
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(C)CCCc2ccc(F)cc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H34FN7O2/c1-5-18-13-20(24-29-30-31-33(24)4)15-22(14-18)28-25(35)27-17(2)23(34)16-32(3)12-6-7-19-8-10-21(26)11-9-19/h8-11,13-15,17,23,34H,5-7,12,16H2,1-4H3,(H2,27,28,35)/t17-,23+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231346
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231347
PNG
(1-((2R,3S)-3-hydroxy-4-(((1S,2S)-1-hydroxy-1-pheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231367
PNG
(1-((2R,3S)-4-(cyclopropyl(3-(4-fluorophenyl)propyl...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)C1CC1
Show InChI InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-21-7-3-6-19(15-21)24-29-30-31-32(24)2)23(34)16-33(22-12-13-22)14-4-5-18-8-10-20(26)11-9-18/h3,6-11,15,17,22-23,34H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,23+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231364
PNG
(1-((2R,3S)-4-((cyclopropylmethyl)(3-(4-fluoropheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)CC1CC1
Show InChI InChI=1S/C26H34FN7O2/c1-18(28-26(36)29-23-7-3-6-21(15-23)25-30-31-32-33(25)2)24(35)17-34(16-20-8-9-20)14-4-5-19-10-12-22(27)13-11-19/h3,6-7,10-13,15,18,20,24,35H,4-5,8-9,14,16-17H2,1-2H3,(H2,28,29,36)/t18-,24+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231357
PNG
(1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(methyl)am...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)CCCc1ccc(F)cc1
Show InChI InChI=1S/C23H30FN7O2/c1-16(21(32)15-30(2)13-5-6-17-9-11-19(24)12-10-17)25-23(33)26-20-8-4-7-18(14-20)22-27-28-29-31(22)3/h4,7-12,14,16,21,32H,5-6,13,15H2,1-3H3,(H2,25,26,33)/t16-,21+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231380
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H38FN7O2/c1-5-13-35(14-7-8-21-9-11-23(28)12-10-21)18-25(36)19(3)29-27(37)30-24-16-20(6-2)15-22(17-24)26-31-32-33-34(26)4/h9-12,15-17,19,25,36H,5-8,13-14,18H2,1-4H3,(H2,29,30,37)/t19-,25+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231361
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(C)[C@@H](C)[C@@H](O)c2ccccc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H35N7O3/c1-6-18-12-20(24-28-29-30-32(24)5)14-21(13-18)27-25(35)26-16(2)22(33)15-31(4)17(3)23(34)19-10-8-7-9-11-19/h7-14,16-17,22-23,33-34H,6,15H2,1-5H3,(H2,26,27,35)/t16-,17+,22+,23-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231377
PNG
(1-((2R,3S)-4-((cyclopropylmethyl)(3-(4-fluoropheny...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC2CC2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C28H38FN7O2/c1-4-20-14-23(27-32-33-34-35(27)3)16-25(15-20)31-28(38)30-19(2)26(37)18-36(17-22-7-8-22)13-5-6-21-9-11-24(29)12-10-21/h9-12,14-16,19,22,26,37H,4-8,13,17-18H2,1-3H3,(H2,30,31,38)/t19-,26+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231368
PNG
(1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(methyl)a...)
Show SMILES CN(CCCc1ccc(F)cc1)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-33(16-6-7-19-12-14-22(27)15-13-19)18-21-8-3-4-11-24(21)29-26(35)28-23-10-5-9-20(17-23)25-30-31-32-34(25)2/h5,9-10,12-15,17,21,24H,3-4,6-8,11,16,18H2,1-2H3,(H2,28,29,35)/t21-,24+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231368
PNG
(1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(methyl)a...)
Show SMILES CN(CCCc1ccc(F)cc1)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O/c1-33(16-6-7-19-12-14-22(27)15-13-19)18-21-8-3-4-11-24(21)29-26(35)28-23-10-5-9-20(17-23)25-30-31-32-34(25)2/h5,9-10,12-15,17,21,24H,3-4,6-8,11,16,18H2,1-2H3,(H2,28,29,35)/t21-,24+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231352
PNG
(1-((2R,3S)-4-(cyclopropyl(3-(4-fluorophenyl)propyl...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)C2CC2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-14-21(26-31-32-33-34(26)3)16-23(15-19)30-27(37)29-18(2)25(36)17-35(24-11-12-24)13-5-6-20-7-9-22(28)10-8-20/h7-10,14-16,18,24-25,36H,4-6,11-13,17H2,1-3H3,(H2,29,30,37)/t18-,25+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163634
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |r|
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231366
PNG
(1-((2R,3S)-4-(ethyl((2S,3S)-4-(4-fluorophenyl)-3-h...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)[C@@H](O)Cc1ccc(F)cc1
Show InChI InChI=1S/C27H38FN7O3/c1-6-19-12-21(26-31-32-33-34(26)5)15-23(13-19)30-27(38)29-17(3)25(37)16-35(7-2)18(4)24(36)14-20-8-10-22(28)11-9-20/h8-13,15,17-18,24-25,36-37H,6-7,14,16H2,1-5H3,(H2,29,30,38)/t17-,18+,24+,25+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231350
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-13-22(26-31-32-33-34(26)3)15-24(14-19)30-27(37)29-18(2)25(36)17-35-11-5-6-21(16-35)12-20-7-9-23(28)10-8-20/h7-10,13-15,18,21,25,36H,4-6,11-12,16-17H2,1-3H3,(H2,29,30,37)/t18-,21+,25+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231348
PNG
(1-((2R,3S)-4-(benzyl(3-(4-fluorophenyl)propyl)amin...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)Cc2ccccc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C31H38FN7O2/c1-4-23-17-26(30-35-36-37-38(30)3)19-28(18-23)34-31(41)33-22(2)29(40)21-39(20-25-9-6-5-7-10-25)16-8-11-24-12-14-27(32)15-13-24/h5-7,9-10,12-15,17-19,22,29,40H,4,8,11,16,20-21H2,1-3H3,(H2,33,34,41)/t22-,29+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231378
PNG
(1-((2R,3S)-4-(ethyl((S)-4-(4-fluorophenyl)butan-2-...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](C)CCc1ccc(F)cc1
Show InChI InChI=1S/C25H34FN7O2/c1-5-33(17(2)9-10-19-11-13-21(26)14-12-19)16-23(34)18(3)27-25(35)28-22-8-6-7-20(15-22)24-29-30-31-32(24)4/h6-8,11-15,17-18,23,34H,5,9-10,16H2,1-4H3,(H2,27,28,35)/t17-,18+,23-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231359
PNG
(1-((2R,3S)-4-(cyclohexyl(3-(4-fluorophenyl)propyl)...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)C1CCCCC1
Show InChI InChI=1S/C28H38FN7O2/c1-20(30-28(38)31-24-10-6-9-22(18-24)27-32-33-34-35(27)2)26(37)19-36(25-11-4-3-5-12-25)17-7-8-21-13-15-23(29)16-14-21/h6,9-10,13-16,18,20,25-26,37H,3-5,7-8,11-12,17,19H2,1-2H3,(H2,30,31,38)/t20-,26+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231376
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(C)CCCc2ccc(F)cc2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H34FN7O2/c1-5-18-13-20(24-29-30-31-33(24)4)15-22(14-18)28-25(35)27-17(2)23(34)16-32(3)12-6-7-19-8-10-21(26)11-9-19/h8-11,13-15,17,23,34H,5-7,12,16H2,1-4H3,(H2,27,28,35)/t17-,23+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231356
PNG
(1-((2R,3S)-4-(cyclohexyl(3-(4-fluorophenyl)propyl)...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)C2CCCCC2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H42FN7O2/c1-4-22-17-24(29-34-35-36-37(29)3)19-26(18-22)33-30(40)32-21(2)28(39)20-38(27-10-6-5-7-11-27)16-8-9-23-12-14-25(31)15-13-23/h12-15,17-19,21,27-28,39H,4-11,16,20H2,1-3H3,(H2,32,33,40)/t21-,28+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231373
PNG
(1-((2R,3S)-4-(ethyl((2S,3R)-4-(4-fluorophenyl)-3-h...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)[C@H](O)Cc1ccc(F)cc1
Show InChI InChI=1S/C27H38FN7O3/c1-6-19-12-21(26-31-32-33-34(26)5)15-23(13-19)30-27(38)29-17(3)25(37)16-35(7-2)18(4)24(36)14-20-8-10-22(28)11-9-20/h8-13,15,17-18,24-25,36-37H,6-7,14,16H2,1-5H3,(H2,29,30,38)/t17-,18+,24-,25+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231370
PNG
(1-((1R,2S)-2-((3-(4-fluorophenyl)propylamino)methy...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CNCCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H32FN7O/c1-33-24(30-31-32-33)19-8-4-9-22(16-19)28-25(34)29-23-10-3-2-7-20(23)17-27-15-5-6-18-11-13-21(26)14-12-18/h4,8-9,11-14,16,20,23,27H,2-3,5-7,10,15,17H2,1H3,(H2,28,29,34)/t20-,23+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231351
PNG
(1-((2R,3S)-3-hydroxy-4-(((1R,2S)-1-hydroxy-1-pheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231374
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)C(C)=O)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H34FN7O3/c1-5-19-13-21(25-30-31-32-33(25)4)15-23(14-19)29-26(37)28-17(2)24(36)16-34(18(3)35)12-6-7-20-8-10-22(27)11-9-20/h8-11,13-15,17,24,36H,5-7,12,16H2,1-4H3,(H2,28,29,37)/t17-,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231365
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC(F)(F)F)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H33F4N7O2/c1-4-18-12-20(24-33-34-35-36(24)3)14-22(13-18)32-25(39)31-17(2)23(38)15-37(16-26(28,29)30)11-5-6-19-7-9-21(27)10-8-19/h7-10,12-14,17,23,38H,4-6,11,15-16H2,1-3H3,(H2,31,32,39)/t17-,23+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231363
PNG
(1-((2R,3S)-4-(ethyl((2S,3S)-4-(4-fluorophenyl)-3-h...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](C)[C@@H](O)Cc1ccc(F)cc1
Show InChI InChI=1S/C25H34FN7O3/c1-5-33(17(3)22(34)13-18-9-11-20(26)12-10-18)15-23(35)16(2)27-25(36)28-21-8-6-7-19(14-21)24-29-30-31-32(24)4/h6-12,14,16-17,22-23,34-35H,5,13,15H2,1-4H3,(H2,27,28,36)/t16-,17+,22+,23+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231375
PNG
(1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)S(C)(=O)=O)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H34FN7O4S/c1-5-18-13-20(24-29-30-31-32(24)3)15-22(14-18)28-25(35)27-17(2)23(34)16-33(38(4,36)37)12-6-7-19-8-10-21(26)11-9-19/h8-11,13-15,17,23,34H,5-7,12,16H2,1-4H3,(H2,27,28,35)/t17-,23+/m1/s1
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n/an/a 21.6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231347
PNG
(1-((2R,3S)-3-hydroxy-4-(((1S,2S)-1-hydroxy-1-pheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231362
PNG
(1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(2,2,2-tri...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)CC(F)(F)F
Show InChI InChI=1S/C24H29F4N7O2/c1-16(29-23(37)30-20-7-3-6-18(13-20)22-31-32-33-34(22)2)21(36)14-35(15-24(26,27)28)12-4-5-17-8-10-19(25)11-9-17/h3,6-11,13,16,21,36H,4-5,12,14-15H2,1-2H3,(H2,29,30,37)/t16-,21+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231369
PNG
(1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(2,2,2-tr...)
Show SMILES Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN(CCCc2ccc(F)cc2)CC(F)(F)F)c1
Show InChI InChI=1S/C27H33F4N7O/c1-37-25(34-35-36-37)20-8-4-9-23(16-20)32-26(39)33-24-10-3-2-7-21(24)17-38(18-27(29,30)31)15-5-6-19-11-13-22(28)14-12-19/h4,8-9,11-14,16,21,24H,2-3,5-7,10,15,17-18H2,1H3,(H2,32,33,39)/t21-,24+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231381
PNG
(1-((2R,3S)-4-(ethyl((2S,3R)-4-(4-fluorophenyl)-3-h...)
Show SMILES CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](C)[C@H](O)Cc1ccc(F)cc1
Show InChI InChI=1S/C25H34FN7O3/c1-5-33(17(3)22(34)13-18-9-11-20(26)12-10-18)15-23(35)16(2)27-25(36)28-21-8-6-7-19(14-21)24-29-30-31-32(24)4/h6-12,14,16-17,22-23,34-35H,5,13,15H2,1-4H3,(H2,27,28,36)/t16-,17+,22-,23+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231355
PNG
(1-((1R,2S)-3-{adamantan-1-ylmethyl-[3-(4-fluoro-ph...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(c1)-c1nnnn1C |TLB:25:26:33:29.30.31,35:26:33:29.30.31,THB:35:30:27.26.34:33,31:30:27:34.32.33,31:32:27:29.35.30|
Show InChI InChI=1S/C35H48FN7O2/c1-4-24-15-29(33-39-40-41-42(33)3)17-31(16-24)38-34(45)37-23(2)32(44)21-43(11-5-6-25-7-9-30(36)10-8-25)22-35-18-26-12-27(19-35)14-28(13-26)20-35/h7-10,15-17,23,26-28,32,44H,4-6,11-14,18-22H2,1-3H3,(H2,37,38,45)/t23-,26?,27?,28?,32+,35?/m1/s1
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n/an/a 211n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231372
PNG
(1-((2R,3S)-3-hydroxy-4-(((1S,2R)-1-hydroxy-1-pheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@H](C)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16-,20+,21-/m1/s1
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n/an/a 238n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231349
PNG
(1-((1R,2S)-3-{adamantan-1-ylmethyl-[3-(4-fluoro-ph...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2 |TLB:32:33:40:36.37.38,42:33:40:36.37.38,THB:42:37:34.33.41:40,38:37:34:41.39.40,38:39:34:36.42.37|
Show InChI InChI=1S/C33H44FN7O2/c1-22(35-32(43)36-29-7-3-6-27(16-29)31-37-38-39-40(31)2)30(42)20-41(12-4-5-23-8-10-28(34)11-9-23)21-33-17-24-13-25(18-33)15-26(14-24)19-33/h3,6-11,16,22,24-26,30,42H,4-5,12-15,17-21H2,1-2H3,(H2,35,36,43)/t22-,24?,25?,26?,30+,33?/m1/s1
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n/an/a 421n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231353
PNG
(1-((2R,3S)-3-hydroxy-4-(((1R,2R)-1-hydroxy-1-pheny...)
Show SMILES C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)[C@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16-,20+,21+/m1/s1
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n/an/a 577n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair