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Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with all data for entry = 50016000   
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))
BDBM50163650
PNG
(1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-flu...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/s1
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n/an/a 0.00700n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Rattus norvegicus)
BDBM50163636
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1
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n/an/a 0.00700n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of rat eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Rattus norvegicus)
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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of rat eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163661
PNG
(1-(3-Acetyl-4-fluoro-phenyl)-3-{(1R,2S)-2-[(S)-3-(...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1F
Show InChI InChI=1S/C28H35F2N3O2/c1-19(34)25-16-24(12-13-26(25)30)31-28(35)32-27-7-3-2-6-22(27)18-33-14-4-5-21(17-33)15-20-8-10-23(29)11-9-20/h8-13,16,21-22,27H,2-7,14-15,17-18H2,1H3,(H2,31,32,35)/t21-,22-,27+/m0/s1
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n/an/a 0.0150n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410314
PNG
(CHEMBL2113074)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ccc4c3)C2)cc1
Show InChI InChI=1S/C28H35FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-14,17,21,23,27,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21-,23-,27+/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163636
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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n/an/a 0.0340n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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n/an/a 0.0390n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of Cynomolgus monkey eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163678
PNG
(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H38FN11O/c1-40-28(34-36-38-40)23-15-24(29-35-37-39-41(29)2)17-26(16-23)32-30(43)33-27-8-4-3-7-22(27)19-42-13-5-6-21(18-42)14-20-9-11-25(31)12-10-20/h9-12,15-17,21-22,27H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,43)/t21-,22-,27+/m0/s1
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n/an/a 0.0420n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410322
PNG
(CHEMBL2113077)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ncc4c3)C2)cc1
Show InChI InChI=1S/C27H34FN5O/c28-23-9-7-19(8-10-23)14-20-4-3-13-33(17-20)18-21-5-1-2-6-25(21)31-27(34)30-24-11-12-26-22(15-24)16-29-32-26/h7-12,15-16,20-21,25H,1-6,13-14,17-18H2,(H,29,32)(H2,30,31,34)/t20-,21-,25+/m0/s1
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n/an/a 0.0450n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163662
PNG
(1-(3a,7a-Dihydro-1H-indazol-6-yl)-3-{(1R,2S)-2-[(S...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4CNNc4c3)C2)cc1
Show InChI InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15,20,22,25,29,32H,1-6,13-14,16-18H2,(H2,30,31,34)/t20-,22-,25+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163660
PNG
(1-(4-Chloro-benzothiazol-2-yl)-3-{(1R,2S)-2-[(S)-3...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nc4c(Cl)cccc4s3)C2)cc1
Show InChI InChI=1S/C27H32ClFN4OS/c28-22-7-3-9-24-25(22)31-27(35-24)32-26(34)30-23-8-2-1-6-20(23)17-33-14-4-5-19(16-33)15-18-10-12-21(29)13-11-18/h3,7,9-13,19-20,23H,1-2,4-6,8,14-17H2,(H2,30,31,32,34)/t19-,20-,23+/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163656
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN7O/c1-20-32-33-34-36(20)26-9-4-8-25(17-26)30-28(37)31-27-10-3-2-7-23(27)19-35-15-5-6-22(18-35)16-21-11-13-24(29)14-12-21/h4,8-9,11-14,17,22-23,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t22-,23-,27+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163635
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cn1nnnc1-c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-10-14-25(15-11-22)30-28(37)31-26-7-3-2-6-23(26)19-36-16-4-5-21(18-36)17-20-8-12-24(29)13-9-20/h8-15,21,23,26H,2-7,16-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410322
PNG
(CHEMBL2113077)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ncc4c3)C2)cc1
Show InChI InChI=1S/C27H34FN5O/c28-23-9-7-19(8-10-23)14-20-4-3-13-33(17-20)18-21-5-1-2-6-25(21)31-27(34)30-24-11-12-26-22(15-24)16-29-32-26/h7-12,15-16,20-21,25H,1-6,13-14,17-18H2,(H,29,32)(H2,30,31,34)/t20-,21-,25+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163645
PNG
(1-(3-Acetyl-phenyl)-3-{(1R,2S)-2-[(R)-3-(4-fluoro-...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24+,27-/m1/s1
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n/an/a 0.364n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410314
PNG
(CHEMBL2113074)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ccc4c3)C2)cc1
Show InChI InChI=1S/C28H35FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-14,17,21,23,27,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21-,23-,27+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163636
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-eotaxin binding to human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
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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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-eotaxin binding to human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163635
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cn1nnnc1-c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-10-14-25(15-11-22)30-28(37)31-26-7-3-2-6-23(26)19-36-16-4-5-21(18-36)17-20-8-12-24(29)13-9-20/h8-15,21,23,26H,2-7,16-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
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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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163662
PNG
(1-(3a,7a-Dihydro-1H-indazol-6-yl)-3-{(1R,2S)-2-[(S...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4CNNc4c3)C2)cc1
Show InChI InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15,20,22,25,29,32H,1-6,13-14,16-18H2,(H2,30,31,34)/t20-,22-,25+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-eotaxin binding to human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163636
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show InChI InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163652
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cn1nnnc1-c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
Show InChI InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)24-9-3-5-11-26(24)31-28(37)30-25-10-4-2-8-22(25)19-36-16-6-7-21(18-36)17-20-12-14-23(29)15-13-20/h3,5,9,11-15,21-22,25H,2,4,6-8,10,16-19H2,1H3,(H2,30,31,37)/t21-,22-,25+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117461
PNG
(3-[3-(3-Acetyl-phenyl)-ureido]-2-[4-(4-fluoro-benz...)
Show SMILES CNC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(C)=O)c1CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H33FN4O3/c1-20(36)23-5-3-6-25(18-23)33-30(38)34-28-8-4-7-26(29(37)32-2)27(28)19-35-15-13-22(14-16-35)17-21-9-11-24(31)12-10-21/h3-12,18,22H,13-17,19H2,1-2H3,(H,32,37)(H2,33,34,38)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163678
PNG
(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H38FN11O/c1-40-28(34-36-38-40)23-15-24(29-35-37-39-41(29)2)17-26(16-23)32-30(43)33-27-8-4-3-7-22(27)19-42-13-5-6-21(18-42)14-20-9-11-25(31)12-10-20/h9-12,15-17,21-22,27H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,43)/t21-,22-,27+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
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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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of calcium mobilization in human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163632
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C27H36FN3O2/c1-33-25-14-12-24(13-15-25)29-27(32)30-26-7-3-2-6-22(26)19-31-16-4-5-21(18-31)17-20-8-10-23(28)11-9-20/h8-15,21-22,26H,2-7,16-19H2,1H3,(H2,29,30,32)/t21-,22-,26+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163677
PNG
(1-(3a,4-Dihydro-1H-benzoimidazol-5-yl)-3-{(1R,2S)-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3=Cc4[nH]cnc4CC3)C2)cc1 |t:23|
Show InChI InChI=1S/C27H36FN5O/c28-22-9-7-19(8-10-22)14-20-4-3-13-33(16-20)17-21-5-1-2-6-24(21)32-27(34)31-23-11-12-25-26(15-23)30-18-29-25/h7-10,15,18,20-21,24H,1-6,11-14,16-17H2,(H,29,30)(H2,31,32,34)/t20-,21-,24+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163682
PNG
(1-(1,2-Dihydro-pyridin-2-yl)-3-{(1R,2S)-2-[(S)-3-(...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3C=CCC=N3)C2)cc1 |c:24,27|
Show InChI InChI=1S/C25H35FN4O/c26-22-12-10-19(11-13-22)16-20-6-5-15-30(17-20)18-21-7-1-2-8-23(21)28-25(31)29-24-9-3-4-14-27-24/h3,9-14,20-21,23-24H,1-2,4-8,15-18H2,(H2,28,29,31)/t20-,21-,23+,24?/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163650
PNG
(1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-flu...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410321
PNG
(CHEMBL2113076)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4ncsc4c3)C2)cc1
Show InChI InChI=1S/C27H33FN4OS/c28-22-9-7-19(8-10-22)14-20-4-3-13-32(16-20)17-21-5-1-2-6-24(21)31-27(33)30-23-11-12-25-26(15-23)34-18-29-25/h7-12,15,18,20-21,24H,1-6,13-14,16-17H2,(H2,30,31,33)/t20-,21-,24+/m0/s1
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410323
PNG
(CHEMBL2113079)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]nc(Cl)c4c3)C2)cc1
Show InChI InChI=1S/C27H33ClFN5O/c28-26-23-15-22(11-12-25(23)32-33-26)30-27(35)31-24-6-2-1-5-20(24)17-34-13-3-4-19(16-34)14-18-7-9-21(29)10-8-18/h7-12,15,19-20,24H,1-6,13-14,16-17H2,(H,32,33)(H2,30,31,35)/t19-,20-,24+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163656
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN7O/c1-20-32-33-34-36(20)26-9-4-8-25(17-26)30-28(37)31-27-10-3-2-7-23(27)19-35-15-5-6-22(18-35)16-21-11-13-24(29)14-12-21/h4,8-9,11-14,17,22-23,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t22-,23-,27+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163670
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1csc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)n1
Show InChI InChI=1S/C24H33FN4OS/c1-17-16-31-24(26-17)28-23(30)27-22-7-3-2-6-20(22)15-29-12-4-5-19(14-29)13-18-8-10-21(25)11-9-18/h8-11,16,19-20,22H,2-7,12-15H2,1H3,(H2,26,27,28,30)/t19-,20-,22+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163651
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES COc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
Show InChI InChI=1S/C27H36FN3O2/c1-33-26-11-5-4-10-25(26)30-27(32)29-24-9-3-2-8-22(24)19-31-16-6-7-21(18-31)17-20-12-14-23(28)15-13-20/h4-5,10-15,21-22,24H,2-3,6-9,16-19H2,1H3,(H2,29,30,32)/t21-,22-,24+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163661
PNG
(1-(3-Acetyl-4-fluoro-phenyl)-3-{(1R,2S)-2-[(S)-3-(...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1F
Show InChI InChI=1S/C28H35F2N3O2/c1-19(34)25-16-24(12-13-26(25)30)31-28(35)32-27-7-3-2-6-22(27)18-33-14-4-5-21(17-33)15-20-8-10-23(29)11-9-20/h8-13,16,21-22,27H,2-7,14-15,17-18H2,1H3,(H2,31,32,35)/t21-,22-,27+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163671
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
Show InChI InChI=1S/C27H36FN3O/c1-20-7-2-4-10-25(20)29-27(32)30-26-11-5-3-9-23(26)19-31-16-6-8-22(18-31)17-21-12-14-24(28)15-13-21/h2,4,7,10,12-15,22-23,26H,3,5-6,8-9,11,16-19H2,1H3,(H2,29,30,32)/t22-,23-,26+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163666
PNG
(1-(3a,7a-Dihydro-1H-indol-6-yl)-3-{(1R,2S)-2-[(S)-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3=CC4N=CCC4C=C3)C2)cc1 |c:26,31,t:23|
Show InChI InChI=1S/C28H37FN4O/c29-24-10-7-20(8-11-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-26(23)32-28(34)31-25-12-9-22-13-14-30-27(22)17-25/h7-12,14,17,21-23,26-27H,1-6,13,15-16,18-19H2,(H2,31,32,34)/t21-,22?,23-,26+,27?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410325
PNG
(CHEMBL2113080)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4NCCc4c3)C2)cc1
Show InChI InChI=1S/C28H37FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-12,17,21,23,27,30H,1-6,13-16,18-19H2,(H2,31,32,34)/t21-,23-,27+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163675
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccccc3F)C2)cc1
Show InChI InChI=1S/C26H33F2N3O/c27-22-13-11-19(12-14-22)16-20-6-5-15-31(17-20)18-21-7-1-3-9-24(21)29-26(32)30-25-10-4-2-8-23(25)28/h2,4,8,10-14,20-21,24H,1,3,5-7,9,15-18H2,(H2,29,30,32)/t20-,21-,24+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163647
PNG
(1-(2,3-Dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-{(1...)
Show SMILES CC1C2C=CC(NC(=O)N[C@@H]3CCCC[C@H]3CN3CCC[C@@H](Cc4ccc(F)cc4)C3)=CC2N=C1C |c:3,33,37|
Show InChI InChI=1S/C30H41FN4O/c1-20-21(2)32-29-17-26(13-14-27(20)29)33-30(36)34-28-8-4-3-7-24(28)19-35-15-5-6-23(18-35)16-22-9-11-25(31)12-10-22/h9-14,17,20,23-24,27-29H,3-8,15-16,18-19H2,1-2H3,(H2,33,34,36)/t20?,23-,24-,27?,28+,29?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163641
PNG
(1-{(1R,2S)-2-[3-(4-Fluoro-benzyl)-piperidin-1-ylme...)
Show SMILES Fc1ccc(CC2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ccc4c3)C2)cc1
Show InChI InChI=1S/C28H35FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-14,17,21,23,27,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21?,23-,27+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163637
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)n1
Show InChI InChI=1S/C24H34FN5O/c1-29-14-12-23(28-29)27-24(31)26-22-7-3-2-6-20(22)17-30-13-4-5-19(16-30)15-18-8-10-21(25)11-9-18/h8-12,14,19-20,22H,2-7,13,15-17H2,1H3,(H2,26,27,28,31)/t19-,20-,22+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163676
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nccs3)C2)cc1
Show InChI InChI=1S/C23H31FN4OS/c24-20-9-7-17(8-10-20)14-18-4-3-12-28(15-18)16-19-5-1-2-6-21(19)26-22(29)27-23-25-11-13-30-23/h7-11,13,18-19,21H,1-6,12,14-16H2,(H2,25,26,27,29)/t18-,19-,21+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50209971
PNG
(1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-y...)
Show SMILES CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163656
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
Show InChI InChI=1S/C28H36FN7O/c1-20-32-33-34-36(20)26-9-4-8-25(17-26)30-28(37)31-27-10-3-2-7-23(27)19-35-15-5-6-22(18-35)16-21-11-13-24(29)14-12-21/h4,8-9,11-14,17,22-23,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t22-,23-,27+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of calcium mobilization in human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163632
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C27H36FN3O2/c1-33-25-14-12-24(13-15-25)29-27(32)30-26-7-3-2-6-22(26)19-31-16-4-5-21(18-31)17-20-8-10-23(28)11-9-20/h8-15,21-22,26H,2-7,16-19H2,1H3,(H2,29,30,32)/t21-,22-,26+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
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