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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 = 'BDBM50243996'   
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))
BDBM50243996
PNG
(CHEMBL510375 | N-Cycloheptyl-2-(4-isopropylpiperaz...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H37N5O2/c1-17(2)28-11-13-29(14-12-28)24-26-20-16-22(31-4)21(30-3)15-19(20)23(27-24)25-18-9-7-5-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50243996
PNG
(CHEMBL510375 | N-Cycloheptyl-2-(4-isopropylpiperaz...)
Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H37N5O2/c1-17(2)28-11-13-29(14-12-28)24-26-20-16-22(31-4)21(30-3)15-19(20)23(27-24)25-18-9-7-5-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA


Bioorg Med Chem 16: 7021-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.036
BindingDB Entry DOI: 10.7270/Q2TD9X51
More data for this
Ligand-Target Pair