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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen [starch] synthase, muscle' and Ligand = 'BDBM212219'   
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
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212219
PNG
(US9290487, compound of Ex. 67)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3cc(sc23)C#N)c1 |r|
Show InChI InChI=1S/C28H20F2N2O4S/c29-23-13-21(26-22(25(23)30)12-20(14-31)37-26)17-6-8-19(9-7-17)36-15-16-3-1-4-18(11-16)27(33)32-10-2-5-24(32)28(34)35/h1,3-4,6-9,11-13,24H,2,5,10,15H2,(H,34,35)/t24-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 590n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair