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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 = 'BDBM50163672'   
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))
BDBM50163672
PNG
(1-[2-(4-Benzyl-piperidin-1-ylmethyl)-cyclohexyl]-3...)
Show SMILES COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H37N3O2/c1-32-25-12-7-11-24(19-25)28-27(31)29-26-13-6-5-10-23(26)20-30-16-14-22(15-17-30)18-21-8-3-2-4-9-21/h2-4,7-9,11-12,19,22-23,26H,5-6,10,13-18,20H2,1H3,(H2,28,29,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 423n/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))
BDBM50163672
PNG
(1-[2-(4-Benzyl-piperidin-1-ylmethyl)-cyclohexyl]-3...)
Show SMILES COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H37N3O2/c1-32-25-12-7-11-24(19-25)28-27(31)29-26-13-6-5-10-23(26)20-30-16-14-22(15-17-30)18-21-8-3-2-4-9-21/h2-4,7-9,11-12,19,22-23,26H,5-6,10,13-18,20H2,1H3,(H2,28,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 423n/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