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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-8' and Ligand = 'BDBM65733'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-8


(Homo sapiens (Human))
BDBM65733
PNG
(3-methyl-8-nitro-7-(phenylmethyl)purine-2,6-dione ...)
Show SMILES Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O4/c1-16-10-9(11(19)15-13(16)20)17(12(14-10)18(21)22)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28C9TP6
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM65733
PNG
(3-methyl-8-nitro-7-(phenylmethyl)purine-2,6-dione ...)
Show SMILES Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O4/c1-16-10-9(11(19)15-13(16)20)17(12(14-10)18(21)22)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair