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BDBM50380878 CHEMBL2018966

SMILES: COc1cccc2n(Cc3ccc(CNC(C)=O)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12

InChI Key: InChIKey=SZTZWHBQSDZDGV-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380878   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))		BDBM50380878
PNG
(CHEMBL2018966)
Show SMILES COc1cccc2n(Cc3ccc(CNC(C)=O)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C22H21ClN4O4S2/c1-14(28)24-12-15-6-8-16(9-7-15)13-27-17-4-3-5-18(31-2)21(17)22(25-27)26-33(29,30)20-11-10-19(23)32-20/h3-11H,12-13H2,1-2H3,(H,24,28)(H,25,26)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
 158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA

Bioorg Med Chem Lett 22: 2730-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.104
BindingDB Entry DOI: 10.7270/Q2J38TK6
More data for this
Ligand-Target Pair