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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50117461'   
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))
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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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
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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n/an/a 1n/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))
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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PubMed
n/an/a 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