BindingDB logo
myBDB logout

BDBM50508471 CHEMBL4471804

SMILES: O=C(NCCCCN=C=S)Nc1ccc2scnc2c1

InChI Key: InChIKey=HDEAHXTWYSQGHZ-UHFFFAOYSA-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 = 50508471   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50508471
PNG
(CHEMBL4471804)
Show SMILES O=C(NCCCCN=C=S)Nc1ccc2scnc2c1
Show InChI InChI=1S/C13H14N4OS2/c18-13(15-6-2-1-5-14-8-19)17-10-3-4-12-11(7-10)16-9-20-12/h3-4,7,9H,1-2,5-6H2,(H2,15,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculo...

Bioorg Med Chem 27: 579-588 (2019)


Article DOI: 10.1016/j.bmc.2018.12.026
More data for this
Ligand-Target Pair