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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM235273'   
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))
BDBM235273
PNG
(US9365558, 96 | US9822074, 96)
Show SMILES CCOc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:10|
Show InChI InChI=1S/C28H27F7N2O6S/c1-2-42-17-6-4-16(5-7-17)20-15-26(28(33,34)35,36-24(38)23(20)25(39)37-44(40,41)19-9-10-19)21-11-8-18(14-22(21)29)43-13-3-12-27(30,31)32/h4-8,11,14,19H,2-3,9-10,12-13,15H2,1H3,(H,36,38)(H,37,39)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...


US Patent US9822074 (2017)


BindingDB Entry DOI: 10.7270/Q2K939TM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM235273
PNG
(US9365558, 96 | US9822074, 96)
Show SMILES CCOc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:10|
Show InChI InChI=1S/C28H27F7N2O6S/c1-2-42-17-6-4-16(5-7-17)20-15-26(28(33,34)35,36-24(38)23(20)25(39)37-44(40,41)19-9-10-19)21-11-8-18(14-22(21)29)43-13-3-12-27(30,31)32/h4-8,11,14,19H,2-3,9-10,12-13,15H2,1H3,(H,36,38)(H,37,39)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/a7.465



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...


US Patent US9365558 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T8B
More data for this
Ligand-Target Pair