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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 = 'BDBM50048182'   
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))
BDBM50048182
PNG
(CHEMBL3310787)
Show SMILES OC[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N |r|
Show InChI InChI=1S/C16H13F2N3O2S/c17-12-3-1-2-8(13(12)18)7-24-16-20-14(10-4-9(10)6-22)11(5-19)15(23)21-16/h1-3,9-10,22H,4,6-7H2,(H,20,21,23)/t9-,10+/m1/s1
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 3285-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.011
BindingDB Entry DOI: 10.7270/Q2930VTJ
More data for this
Ligand-Target Pair