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BDBM50124341 CHEMBL3622853

SMILES: CCCCCc1cc2c(CCCCN)cccc2nc1N

InChI Key: InChIKey=GHXJTPWIBLPAON-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50124341   
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
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50124341
PNG
(CHEMBL3622853)
Show SMILES CCCCCc1cc2c(CCCCN)cccc2nc1N
Show InChI InChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21)
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PDB
Article
PubMed
n/an/an/an/a 27n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK293 cells assessed as activation of NF-kB by reporter gene assay


J Med Chem 58: 7833-49 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01087
BindingDB Entry DOI: 10.7270/Q2CF9RZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)