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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 4' and Ligand = 'BDBM50278724'   
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


(Mus musculus)
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Canis lupus familiaris)
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells coexpressing CD4+ assessed as inhibition of CCL22 induced Ca2+ mobilization


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL22 induced chemotaxis


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL17 induced chemotaxis


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair