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BDBM50209252 (S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N-(1-(2-phenylacetyl)piperidin-4-yl)pyrrolidine-2-carboxamide::CHEMBL246123

SMILES: CN(C1CCN(CC1)C(=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1

InChI Key: InChIKey=MOEMZWLCMLBIEB-MHZLTWQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209252   
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))
BDBM50209252
PNG
((S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N...)
Show SMILES CN(C1CCN(CC1)C(=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H32ClN3O4S/c1-31(23-14-17-32(18-15-23)28(34)19-21-7-3-2-4-8-21)29(35)27-11-6-16-33(27)38(36,37)24-12-13-25-22(20-24)9-5-10-26(25)30/h2-5,7-10,12-13,20,23,27H,6,11,14-19H2,1H3/t27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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