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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 = 'BDBM50203891'   
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))
BDBM50203891
PNG
(CHEMBL221842 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2nccn2C)c2ccccc12
Show InChI InChI=1S/C24H29N5O4S/c1-3-6-22(30)29-14-11-17(12-15-29)27-34(32,33)21-10-9-20(18-7-4-5-8-19(18)21)26-24(31)23-25-13-16-28(23)2/h4-5,7-10,13,16-17,27H,3,6,11-12,14-15H2,1-2H3,(H,26,31)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20.4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair