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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 640.5
BDBM235206

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))
BDBM235206
PNG
(US9365558, 29 | US9822074, 29)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)c2ccccc2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8|
Show InChI InChI=1S/C30H26F6N2O5S/c1-19-8-10-20(11-9-19)24-18-28(30(34,35)36,21-12-14-22(15-13-21)43-17-5-16-29(31,32)33)37-26(39)25(24)27(40)38-44(41,42)23-6-3-2-4-7-23/h2-4,6-15H,5,16-18H2,1H3,(H,37,39)(H,38,40)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 84n/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))
BDBM235206
PNG
(US9365558, 29 | US9822074, 29)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)c2ccccc2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8|
Show InChI InChI=1S/C30H26F6N2O5S/c1-19-8-10-20(11-9-19)24-18-28(30(34,35)36,21-12-14-22(15-13-21)43-17-5-16-29(31,32)33)37-26(39)25(24)27(40)38-44(41,42)23-6-3-2-4-7-23/h2-4,6-15H,5,16-18H2,1H3,(H,37,39)(H,38,40)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 84n/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