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BDBM50209281 (S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-ethyl-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide::CHEMBL246328

SMILES: CCN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1

InChI Key: InChIKey=XNOFLDGSSUCALL-LJAQVGFWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209281   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50209281
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-ethyl-N-...)
Show SMILES CCN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C30H36ClN3O3S/c1-2-33(25-16-20-32(21-17-25)19-15-23-8-4-3-5-9-23)30(35)29-12-7-18-34(29)38(36,37)26-13-14-27-24(22-26)10-6-11-28(27)31/h3-6,8-11,13-14,22,25,29H,2,7,12,15-21H2,1H3/t29-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
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Similars

Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells coexpressing Galpha16 by FLIPR assay


Bioorg Med Chem Lett 17: 3141-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.030
BindingDB Entry DOI: 10.7270/Q2TD9X2P
More data for this
Ligand-Target Pair