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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.4
BDBM201237

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

Found 4 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))
BDBM201237
PNG
(US9187424, 5)
Show SMILES CCCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |t:14|
Show InChI InChI=1S/C24H23F3N2O2/c1-3-4-13-31-19-11-9-18(10-12-19)23(24(25,26)27)14-20(21(15-28)22(30)29-23)17-7-5-16(2)6-8-17/h5-12H,3-4,13-14H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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))
BDBM201237
PNG
(US9187424, 5)
Show SMILES CCCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |t:14|
Show InChI InChI=1S/C24H23F3N2O2/c1-3-4-13-31-19-11-9-18(10-12-19)23(24(25,26)27)14-20(21(15-28)22(30)29-23)17-7-5-16(2)6-8-17/h5-12H,3-4,13-14H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01356
BindingDB Entry DOI: 10.7270/Q2RF5ZVM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Mus musculus)
BDBM201237
PNG
(US9187424, 5)
Show SMILES CCCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |t:14|
Show InChI InChI=1S/C24H23F3N2O2/c1-3-4-13-31-19-11-9-18(10-12-19)23(24(25,26)27)14-20(21(15-28)22(30)29-23)17-7-5-16(2)6-8-17/h5-12H,3-4,13-14H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01356
BindingDB Entry DOI: 10.7270/Q2RF5ZVM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM201237
PNG
(US9187424, 5)
Show SMILES CCCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |t:14|
Show InChI InChI=1S/C24H23F3N2O2/c1-3-4-13-31-19-11-9-18(10-12-19)23(24(25,26)27)14-20(21(15-28)22(30)29-23)17-7-5-16(2)6-8-17/h5-12H,3-4,13-14H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 309n/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