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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 = 'BDBM50036804'   
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))
BDBM50036804
PNG
(CHEMBL3355240)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2(C)CCC2)c1O
Show InChI InChI=1S/C18H22ClN3O4S/c1-10(2)27(25,26)16-11(19)5-6-12(15(16)24)20-17-21-13(9-14(23)22-17)18(3)7-4-8-18/h5-6,9-10,24H,4,7-8H2,1-3H3,(H2,20,21,22,23)
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PC sid
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Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
BindingDB Entry DOI: 10.7270/Q21V5GKV
More data for this
Ligand-Target Pair