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BDBM50371784 CHEMBL446458

SMILES: C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12

InChI Key: InChIKey=SRHSMXLXWORYJK-SSDOTTSWSA-N

Data: 2 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 2 hits for monomerid = 50371784   
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))
BDBM50371784
PNG
(CHEMBL446458)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50371784
PNG
(CHEMBL446458)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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
More data for this
Ligand-Target Pair