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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM50065325'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065325
PNG
(CHEMBL3403849)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/C18H24ClFN6O3S2/c1-12(10-27)22-15-9-16(25-31(28,29)26-7-5-21-6-8-26)24-18(23-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,21,27H,5-8,10-11H2,1H3,(H2,22,23,24,25)/t12-/m1/s1
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Similars

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair