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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 = 'BDBM50203887'   
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))		BDBM50203887
PNG
(3-(diethylamino)propyl 4-[({4-[(2-methylbenzoyl)am...)
Show SMILES CCN(CC)CCCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C31H40N4O5S/c1-4-34(5-2)19-10-22-40-31(37)35-20-17-24(18-21-35)33-41(38,39)29-16-15-28(26-13-8-9-14-27(26)29)32-30(36)25-12-7-6-11-23(25)3/h6-9,11-16,24,33H,4-5,10,17-22H2,1-3H3,(H,32,36)
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Article
PubMed
n/an/a 14.5n/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