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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 617.4
BDBM201385

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))
BDBM201385
PNG
(US9187424, 150)
Show SMILES Cc1cc(on1)C(=O)NC1=C(c2ccc(C)cc2)C(F)(F)C(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10|
Show InChI InChI=1S/C28H23F8N3O4/c1-15-4-6-17(7-5-15)21-22(37-23(40)20-14-16(2)39-43-20)24(41)38-26(27(21,32)33,28(34,35)36)18-8-10-19(11-9-18)42-13-3-12-25(29,30)31/h4-11,14H,3,12-13H2,1-2H3,(H,37,40)(H,38,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.4n/a



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 uL of 50 mM Potassium Phosphate buff...


US Patent US9187424 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VFG
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM201385
PNG
(US9187424, 150)
Show SMILES Cc1cc(on1)C(=O)NC1=C(c2ccc(C)cc2)C(F)(F)C(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10|
Show InChI InChI=1S/C28H23F8N3O4/c1-15-4-6-17(7-5-15)21-22(37-23(40)20-14-16(2)39-43-20)24(41)38-26(27(21,32)33,28(34,35)36)18-8-10-19(11-9-18)42-13-3-12-25(29,30)31/h4-11,14H,3,12-13H2,1-2H3,(H,37,40)(H,38,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoy...


US Patent US9187424 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VFG
More data for this
Ligand-Target Pair