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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 = 'BDBM50203028'   
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))
BDBM50203028
PNG
(3-(2-(o-toluidino)-3,4-dioxocyclobut-1-enylamino)-...)
Show SMILES CN(C)S(=O)(=O)c1c(C)ccc(Nc2c(Nc3ccccc3C)c(=O)c2=O)c1O
Show InChI InChI=1S/C20H21N3O5S/c1-11-7-5-6-8-13(11)21-15-16(19(26)18(15)25)22-14-10-9-12(2)20(17(14)24)29(27,28)23(3)4/h5-10,21-22,24H,1-4H3
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PC cid
PC sid
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair