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BDBM50292654 (+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiperidin-3-yl)-N-(3-hydroxypropyl)benzamide::CHEMBL514259

SMILES: OCCCNC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1

InChI Key: InChIKey=BWPJTBPOAWYOJY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292654   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292654
PNG
((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...)
Show SMILES OCCCNC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C27H32BrN3O4/c28-23-7-5-19(6-8-23)18-31-14-10-21(11-15-31)27(12-9-24(33)30-26(27)35)22-4-1-3-20(17-22)25(34)29-13-2-16-32/h1,3-8,17,21,32H,2,9-16,18H2,(H,29,34)(H,30,33,35)
UniProtKB/SwissProt

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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair