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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 = 'BDBM50245072'   
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))
BDBM50245072
PNG
(4-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCCCO
Show InChI InChI=1S/C26H34ClN5O3/c1-31(12-4-5-15-33)20-10-13-32(14-11-20)26-29-22-17-24(35-3)23(34-2)16-21(22)25(30-26)28-19-8-6-18(27)7-9-19/h6-9,16-17,20,33H,4-5,10-15H2,1-3H3,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50245072
PNG
(4-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquin...)
Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N(C)CCCCO
Show InChI InChI=1S/C26H34ClN5O3/c1-31(12-4-5-15-33)20-10-13-32(14-11-20)26-29-22-17-24(35-3)23(34-2)16-21(22)25(30-26)28-19-8-6-18(27)7-9-19/h6-9,16-17,20,33H,4-5,10-15H2,1-3H3,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assay


Bioorg Med Chem 16: 7968-74 (2008)


Article DOI: 10.1016/j.bmc.2008.07.062
BindingDB Entry DOI: 10.7270/Q2QJ7H49
More data for this
Ligand-Target Pair