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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 = 'BDBM50163654'   
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))
BDBM50163654
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)Nc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C26H33F2N3O/c27-22-9-7-19(8-10-22)16-20-4-3-15-31(17-20)18-21-5-1-2-6-25(21)30-26(32)29-24-13-11-23(28)12-14-24/h7-14,20-21,25H,1-6,15-18H2,(H2,29,30,32)/t20-,21-,25+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5n/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))
BDBM50163654
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)Nc3ccc(F)cc3)C2)cc1
Show InChI InChI=1S/C26H33F2N3O/c27-22-9-7-19(8-10-22)16-20-4-3-15-31(17-20)18-21-5-1-2-6-25(21)30-26(32)29-24-13-11-23(28)12-14-24/h7-14,20-21,25H,1-6,15-18H2,(H2,29,30,32)/t20-,21-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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