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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-8 receptors, CXCR2' and Ligand = 'BDBM50247949'   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50247949
PNG
((R)-3-(4-(1-(3-fluorophenyl)-2,2-dimethylpropylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C22H26FN5O2S/c1-22(2,3)18(13-8-6-9-14(23)12-13)25-20-19(26-31-27-20)24-16-11-7-10-15(17(16)29)21(30)28(4)5/h6-12,18,29H,1-5H3,(H,24,26)(H,25,27)/t18-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair