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BDBM50120413 CHEMBL3617831

SMILES: CSc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=OVPFPLNOPGBOJH-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120413   
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))
BDBM50120413
PNG
(CHEMBL3617831)
Show SMILES CSc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O2S/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.85E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair