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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 = 'BDBM50227011'   
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))
BDBM50227011
PNG
(3-{4-[(R)-1-(5-chloro-furan-2-yl)-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H24ClN5O5S/c1-20(2,3)16(13-9-10-14(21)31-13)23-18-17(24-32(29,30)25-18)22-12-8-6-7-11(15(12)27)19(28)26(4)5/h6-10,16,27H,1-5H3,(H,22,24)(H,23,25)/t16-/m0/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair