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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 = 'BDBM50227008'   
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))
BDBM50227008
PNG
(3-{4-[(R)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2,...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCCOc3c2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C24H29N5O6S/c1-24(2,3)20(14-9-10-17-18(13-14)35-12-11-34-17)26-22-21(27-36(32,33)28-22)25-16-8-6-7-15(19(16)30)23(31)29(4)5/h6-10,13,20,30H,11-12H2,1-5H3,(H,25,27)(H,26,28)/t20-/m0/s1
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Similars

Article
PubMed
24n/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