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BDBM50209249 (S)-N-(1-benzylpiperidin-4-yl)-1-(benzylsulfonyl)pyrrolidine-2-carboxamide::CHEMBL246384

SMILES: O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=KYEOZLCVRPZPOT-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209249   
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))
BDBM50209249
PNG
((S)-N-(1-benzylpiperidin-4-yl)-1-(benzylsulfonyl)p...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H31N3O3S/c28-24(25-22-13-16-26(17-14-22)18-20-8-3-1-4-9-20)23-12-7-15-27(23)31(29,30)19-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2,(H,25,28)/t23-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human MDC 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