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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 610.9
BDBM201296

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))
BDBM201296
PNG
(US9187424, 60)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccccc2Cl)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:8|
Show InChI InChI=1S/C30H25ClF6N2O3/c1-18-7-9-19(10-8-18)22-17-28(30(35,36)37,20-11-13-21(14-12-20)42-16-4-15-29(32,33)34)39-27(41)25(22)26(40)38-24-6-3-2-5-23(24)31/h2-3,5-14H,4,15-17H2,1H3,(H,38,40)(H,39,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM201296
PNG
(US9187424, 60)
Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccccc2Cl)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:8|
Show InChI InChI=1S/C30H25ClF6N2O3/c1-18-7-9-19(10-8-18)22-17-28(30(35,36)37,20-11-13-21(14-12-20)42-16-4-15-29(32,33)34)39-27(41)25(22)26(40)38-24-6-3-2-5-23(24)31/h2-3,5-14H,4,15-17H2,1H3,(H,38,40)(H,39,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 441n/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