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BDBM50227875 1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-((1-acetylpiperidin-4-yl)methyl)piperidin-4-yl)urea::CHEMBL252502

SMILES: CC(=O)N1CCC(CN2CCC(CC2)NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1

InChI Key: InChIKey=PTFUNZGOMIDWBC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50227875   
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))
BDBM50227875
PNG
(1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-((1-acetyl...)
Show SMILES CC(=O)N1CCC(CN2CCC(CC2)NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C22H28F6N4O2/c1-14(33)32-8-2-15(3-9-32)13-31-6-4-18(5-7-31)29-20(34)30-19-11-16(21(23,24)25)10-17(12-19)22(26,27)28/h10-12,15,18H,2-9,13H2,1H3,(H2,29,30,34)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 147-51 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.109
BindingDB Entry DOI: 10.7270/Q2MC8ZRG
More data for this
Ligand-Target Pair