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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 4 (CCR4)' and Ligand = 'BDBM50380873'   
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 4 (CCR4)


(Homo sapiens (Human))
BDBM50380873
PNG
(CHEMBL2018960)
Show SMILES COc1cccc2n(Cc3ccccc3CO)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-8-4-7-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-2-3-6-14(13)12-25/h2-10,25H,11-12H2,1H3,(H,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
251n/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
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50380873
PNG
(CHEMBL2018960)
Show SMILES COc1cccc2n(Cc3ccccc3CO)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-8-4-7-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-2-3-6-14(13)12-25/h2-10,25H,11-12H2,1H3,(H,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 324n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting


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