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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50163635'   
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))
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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PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/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