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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 = 'BDBM50233566'   
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))
BDBM50233566
PNG
(3-(3,4-dioxo-2-(1-(5-(trifluoromethyl)furan-2-yl)p...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C21H20F3N3O5/c1-4-11(13-8-9-14(32-13)21(22,23)24)25-15-16(19(30)18(15)29)26-12-7-5-6-10(17(12)28)20(31)27(2)3/h5-9,11,25-26,28H,4H2,1-3H3
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Article
PubMed
n/an/a 17.2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair