BindingDB logo
myBDB logout

BDBM201391 US9187424, 157

SMILES: Cc1cnoc1C(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1

InChI Key: InChIKey=YJZQLYZJHIFFOT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 201391   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM201391
PNG
(US9187424, 157)
Show SMILES Cc1cnoc1C(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
Show InChI InChI=1S/C28H25F6N3O4/c1-16-4-6-18(7-5-16)21-14-26(28(32,33)34,19-8-10-20(11-9-19)40-13-3-12-27(29,30)31)37-24(38)22(21)36-25(39)23-17(2)15-35-41-23/h4-11,15H,3,12-14H2,1-2H3,(H,36,39)(H,37,38)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 168n/an/an/an/a7.425



Bristol-Myers Squibb Co.

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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM201391
PNG
(US9187424, 157)
Show SMILES Cc1cnoc1C(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
Show InChI InChI=1S/C28H25F6N3O4/c1-16-4-6-18(7-5-16)21-14-26(28(32,33)34,19-8-10-20(11-9-19)40-13-3-12-27(29,30)31)37-24(38)22(21)36-25(39)23-17(2)15-35-41-23/h4-11,15H,3,12-14H2,1-2H3,(H,36,39)(H,37,38)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 84n/an/an/an/a7.4n/a



Bristol-Myers Squibb Co.

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