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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 = 'BDBM304741'   
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))
BDBM304741
PNG
(3-(3-((5-ethyl-1,1-dioxido-4,5-dihydropyrido[2,3-f...)
Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc12
Show InChI InChI=1S/C28H32N6O5S/c1-5-33-11-12-34(40(37,38)25-7-6-10-29-28(25)33)17-21-13-19(9-8-18(21)2)22(16-26(35)36)20-14-23-27(24(15-20)39-4)32(3)31-30-23/h6-10,13-15,22H,5,11-12,16-17H2,1-4H3,(H,35,36)
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