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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 = 'BDBM304752'   
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))
BDBM304752
PNG
(3-(1-ethyl-4-methyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H31N5O5S/c1-5-33-24-11-10-22(19(4)27(24)30-31-33)23(14-26(34)35)20-9-8-17(2)21(13-20)16-32-15-18(3)38-28-25(39(32,36)37)7-6-12-29-28/h6-13,18,23H,5,14-16H2,1-4H3,(H,34,35)/t18-,23?/m1/s1
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