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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 = 'BDBM271894'   
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))
BDBM271894
PNG
(US10065945, Example 6)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1noc(n1)-c1ccccc1)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C26H24F3N5O4S/c1-17(20-8-10-23(30-14-20)37-16-26(27,28)29)34-12-11-18-7-9-22(13-21(18)15-34)39(35,36)33-25-31-24(38-32-25)19-5-3-2-4-6-19/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,32,33)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/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