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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 662.6
BDBM235256

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM235256
PNG
(US9365558, 79 | US9822074, 79)
Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:30|
Show InChI InChI=1S/C29H32F6N4O5S/c30-28(31,32)13-2-1-3-15-44-20-8-6-19(7-9-20)27(29(33,34)35)16-22(23-12-14-39(37-23)17-18-4-5-18)24(25(40)36-27)26(41)38-45(42,43)21-10-11-21/h6-9,12,14,18,21H,1-5,10-11,13,15-17H2,(H,36,40)(H,38,41)/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM235256
PNG
(US9365558, 79 | US9822074, 79)
Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:30|
Show InChI InChI=1S/C29H32F6N4O5S/c30-28(31,32)13-2-1-3-15-44-20-8-6-19(7-9-20)27(29(33,34)35)16-22(23-12-14-39(37-23)17-18-4-5-18)24(25(40)36-27)26(41)38-45(42,43)21-10-11-21/h6-9,12,14,18,21H,1-5,10-11,13,15-17H2,(H,36,40)(H,38,41)/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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