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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 4' and Ligand = 'BDBM50245034'   
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))
BDBM50245034
PNG
(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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))
BDBM50245034
PNG
(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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
C-C chemokine receptor type 4


(Mus musculus)
BDBM50245034
PNG
(CHEMBL488018 | N-(3,4-Difluorophenyl)-6,7-dimethox...)
Show SMILES COc1cc2nc(nc(Nc3ccc(F)c(F)c3)c2cc1OC)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H29F2N5O2/c1-33-22-14-18-21(15-23(22)34-2)29-25(30-24(18)28-16-5-6-19(26)20(27)13-16)32-11-7-17(8-12-32)31-9-3-4-10-31/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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