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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 = 'BDBM304722'   
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))
BDBM304722
PNG
(3-(3-((1,1-dioxido-3,4-dihydro-2H-pyrido[2,3-b][1,...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C26H27N5O6S/c1-16-6-7-17(11-19(16)15-31-9-10-37-26-23(38(31,34)35)5-4-8-27-26)20(14-24(32)33)18-12-21-25(22(13-18)36-3)30(2)29-28-21/h4-8,11-13,20H,9-10,14-15H2,1-3H3,(H,32,33)
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