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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Keap1 (321-609)' and Ligand = 'BDBM304973'   
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
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304973
PNG
(3-(3-((4,4-dioxido-1,4,5-oxathiazepan-5-yl)methyl)...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOCCS2(=O)=O)c1
Show InChI InChI=1S/C23H28N4O6S/c1-15-4-5-16(10-18(15)14-27-6-7-33-8-9-34(27,30)31)19(13-22(28)29)17-11-20-23(21(12-17)32-3)26(2)25-24-20/h4-5,10-12,19H,6-9,13-14H2,1-3H3,(H,28,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)

More data for this
Ligand-Target Pair