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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 = 'BDBM50142347'   
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))
BDBM50142347
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50142347
PNG
(2-[(2R,5R)-5-[(3-Chloro-2-methyl-benzylcarbamoyl)-...)
Show SMILES Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H35Cl3N4O3S/c1-19-20(7-5-8-23(19)31)17-34-26(37)16-25-28(39)36(29(40-25)22-10-9-21(30)15-24(22)32)18-27(38)33-11-6-14-35-12-3-2-4-13-35/h5,7-10,15,25,29H,2-4,6,11-14,16-18H2,1H3,(H,33,38)(H,34,37)/t25-,29-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of MDC-stimulated chemotaxis in transfected murine cell line expressing human chemokine receptor 4


Bioorg Med Chem Lett 14: 1619-24 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.072
More data for this
Ligand-Target Pair