new BindingDB logo
myBDB logout

BDBM50065270 CHEMBL3403843

SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(cc2)C#N)nc(SCc2ccccc2)n1

InChI Key: InChIKey=TWUUERRYOWEYOJ-GGYSOQFKNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065270   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065270
PNG
(CHEMBL3403843)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(cc2)C#N)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C21H21N5O3S2/c1-15(13-27)23-19-11-20(25-21(24-19)30-14-17-5-3-2-4-6-17)26-31(28,29)18-9-7-16(12-22)8-10-18/h2-11,15,27H,13-14H2,1H3,(H2,23,24,25,26)/t15-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair