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BDBM50508525 CHEMBL4473247

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)SC(=S)NCCCCNC(=O)Nc1ccc2ncsc2c1

InChI Key: InChIKey=AFLMAKWBDIJYRX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508525   
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))		BDBM50508525
PNG
(CHEMBL4473247)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)SC(=S)NCCCCNC(=O)Nc1ccc2ncsc2c1
Show InChI InChI=1S/C23H33N5O3S3/c1-23(2,3)31-22(30)28-12-8-17(9-13-28)34-21(32)25-11-5-4-10-24-20(29)27-16-6-7-18-19(14-16)33-15-26-18/h6-7,14-15,17H,4-5,8-13H2,1-3H3,(H,25,32)(H2,24,27,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/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