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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM271895'   
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM271895
PNG
(US10065945, Example 7)
Show SMILES CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1 |r|
Show InChI InChI=1S/C22H24F3N5O4S/c1-3-19-27-21(34-28-19)29-35(31,32)18-6-4-15-8-9-30(12-17(15)10-18)14(2)16-5-7-20(26-11-16)33-13-22(23,24)25/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,27,28,29)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...


US Patent US10065945 (2018)


BindingDB Entry DOI: 10.7270/Q24X59TJ
More data for this
Ligand-Target Pair