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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 8' and Ligand = 'BDBM50414985'   
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 8


(Homo sapiens (Human))
BDBM50414985
PNG
(CHEMBL568503)
Show SMILES CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncn3)ccc2O1
Show InChI InChI=1S/C26H34N4O2/c1-25(2)7-5-21-17-20(3-4-23(21)32-25)18-29-13-8-26(9-14-29)10-15-30(16-11-26)24(31)22-6-12-27-19-28-22/h3-4,6,12,17,19H,5,7-11,13-16,18H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR8


J Med Chem 52: 7706-23 (2009)


Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP
More data for this
Ligand-Target Pair