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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 = 'BDBM272060'   
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))
BDBM272060
PNG
(US10065945, Example 54)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)NCC(F)(F)F)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C22H20F5N5O4S/c1-12(14-6-16(23)9-17(24)7-14)32-5-4-13-2-3-18(8-15(13)10-32)37(34,35)31-21-29-19(30-36-21)20(33)28-11-22(25,26)27/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,28,33)(H,29,30,31)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/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