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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-8 receptors, CXCR2' and Ligand = 'BDBM50213737'   
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))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50213737
PNG
(7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...)
Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR


Bioorg Med Chem Lett 17: 3864-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.011
BindingDB Entry DOI: 10.7270/Q21C1WKG
More data for this
Ligand-Target Pair