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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear factor erythroid 2-related factor 2' and Ligand = 'BDBM50200474'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50200474
PNG
(CHEMBL3965182)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C33H52N8O15/c1-15(2)12-20(28(34)51)39-29(52)18(7-9-24(45)46)37-23(44)14-35-32(55)27(16(3)42)40-30(53)19(8-10-25(47)48)38-31(54)22-6-5-11-41(22)33(56)21(13-26(49)50)36-17(4)43/h15-16,18-22,27,42H,5-14H2,1-4H3,(H2,34,51)(H,35,55)(H,36,43)(H,37,44)(H,38,54)(H,39,52)(H,40,53)(H,45,46)(H,47,48)(H,49,50)/t16-,18+,19+,20+,21+,22+,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 634n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...


J Med Chem 59: 10837-10858 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ
More data for this
Ligand-Target Pair