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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 = 'BDBM50203842'   
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))		BDBM50203842
PNG
(CHEMBL222062 | N-(4-{[(1-butyrylpiperidin-4-yl)ami...)
Show SMILES CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C27H31N3O4S/c1-3-6-26(31)30-17-15-21(16-18-30)29-35(33,34)25-14-13-24(22-7-4-5-8-23(22)25)28-27(32)20-11-9-19(2)10-12-20/h4-5,7-14,21,29H,3,6,15-18H2,1-2H3,(H,28,32)
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Article
PubMed
n/an/a 9.5n/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