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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 = 'BDBM50456757'   
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))		BDBM50456757
PNG
(CHEMBL4209008)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)c1ccc(cc1)C#N)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay

J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair