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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' and Ligand = 'BDBM50500901'   
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


(Homo sapiens (Human))
BDBM50500901
PNG
(CHEMBL3799266)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method


Eur J Med Chem 115: 14-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50500901
PNG
(CHEMBL3799266)
Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(Cl)c1
Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay


Eur J Med Chem 115: 14-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.058
BindingDB Entry DOI: 10.7270/Q24J0J4S
More data for this
Ligand-Target Pair