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BDBM50371783 CHEMBL397237

SMILES: C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12

InChI Key: InChIKey=BDGUZDOTNGSANE-SSDOTTSWSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50371783   
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))
BDBM50371783
PNG
(CHEMBL397237)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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)

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


(Homo sapiens (Human))
BDBM50371783
PNG
(CHEMBL397237)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonistic activity against human CXCR2 in neutrophils assessed as blockade of GROalpha stimulated calcium mobilisation by FLIPR


Bioorg Med Chem Lett 17: 2731-4 (2007)

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


(Homo sapiens (Human))
BDBM50371783
PNG
(CHEMBL397237)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/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


Citation and Details
More data for this
Ligand-Target Pair