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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 = 'BDBM50041203'   
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))
BDBM50041203
PNG
(CHEMBL3355942)
Show SMILES CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN2S/c1-2-22-24(21-6-3-4-7-23(21)26-22)18-12-15-27(16-13-18)14-5-17-28-20-10-8-19(25)9-11-20/h3-4,6-11,18,26H,2,5,12-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Mus musculus)
BDBM50041203
PNG
(CHEMBL3355942)
Show SMILES CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN2S/c1-2-22-24(21-6-3-4-7-23(21)26-22)18-12-15-27(16-13-18)14-5-17-28-20-10-8-19(25)9-11-20/h3-4,6-11,18,26H,2,5,12-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
400n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair