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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 = 'BDBM50248038'   
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))
BDBM50248038
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C21H27N5O3S/c1-12-10-11-15(29-12)17(21(2,3)4)23-19-18(24-30-25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
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PC sid
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Article
PubMed
91n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248038
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C21H27N5O3S/c1-12-10-11-15(29-12)17(21(2,3)4)23-19-18(24-30-25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL1 from CXCR2 receptor in human PMN assessed as myeloperoxidase release


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair