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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50394486'   
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))
BDBM50394486
PNG
(CHEMBL2159863)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 |r|
Show InChI InChI=1S/C22H29FN4O3S/c1-31(29,30)27-10-7-20(8-11-27)24-22(28)25-21-6-9-26(15-21)14-16-2-3-18-13-19(23)5-4-17(18)12-16/h2-5,12-13,20-21H,6-11,14-15H2,1H3,(H2,24,25,28)/t21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 receptor


Bioorg Med Chem Lett 22: 6876-81 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.035
BindingDB Entry DOI: 10.7270/Q2QC04MN
More data for this
Ligand-Target Pair