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BDBM50209257 (S)-N-(1-(3-chlorophenethyl)piperidin-4-yl)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide::CHEMBL396166

SMILES: CN(C1CCN(CCc2cccc(Cl)c2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1

InChI Key: InChIKey=XTVWWGBNZRULLJ-NDEPHWFRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209257   
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))		BDBM50209257
PNG
((S)-N-(1-(3-chlorophenethyl)piperidin-4-yl)-1-(5-c...)
Show SMILES CN(C1CCN(CCc2cccc(Cl)c2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C29H33Cl2N3O3S/c1-32(24-13-17-33(18-14-24)16-12-21-5-2-7-23(30)19-21)29(35)28-9-4-15-34(28)38(36,37)25-10-11-26-22(20-25)6-3-8-27(26)31/h2-3,5-8,10-11,19-20,24,28H,4,9,12-18H2,1H3/t28-/m0/s1
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UniProtKB/TrEMBL

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Article
PubMed
 400n/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