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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 = 'BDBM50163667'   
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))
BDBM50163667
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)Nc3ccccc3)C2)cc1
Show InChI InChI=1S/C26H34FN3O/c27-23-14-12-20(13-15-23)17-21-7-6-16-30(18-21)19-22-8-4-5-11-25(22)29-26(31)28-24-9-2-1-3-10-24/h1-3,9-10,12-15,21-22,25H,4-8,11,16-19H2,(H2,28,29,31)/t21-,22-,25+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/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))
BDBM50163667
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)Nc3ccccc3)C2)cc1
Show InChI InChI=1S/C26H34FN3O/c27-23-14-12-20(13-15-23)17-21-7-6-16-30(18-21)19-22-8-4-5-11-25(22)29-26(31)28-24-9-2-1-3-10-24/h1-3,9-10,12-15,21-22,25H,4-8,11,16-19H2,(H2,28,29,31)/t21-,22-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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