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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 = 'BDBM50163641'   
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))
BDBM50163641
PNG
(1-{(1R,2S)-2-[3-(4-Fluoro-benzyl)-piperidin-1-ylme...)
Show SMILES Fc1ccc(CC2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ccc4c3)C2)cc1
Show InChI InChI=1S/C28H35FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-14,17,21,23,27,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21?,23-,27+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/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))
BDBM50163641
PNG
(1-{(1R,2S)-2-[3-(4-Fluoro-benzyl)-piperidin-1-ylme...)
Show SMILES Fc1ccc(CC2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ccc4c3)C2)cc1
Show InChI InChI=1S/C28H35FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-14,17,21,23,27,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21?,23-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/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