BindingDB logo
myBDB logout

BDBM201515 US9187424, 282

InChI string: InChI=1/C29H33F6N2O6P/c1-4-42-44(40,43-5-2)18-24(38)36-25-23(20-9-7-19(3)8-10-20)17-27(29(33,34)35,37-26(25)39)21-11-13-22(14-12-21)41-16-6-15-28(30,31)32/h7-14H,4-6,15-18H2,1-3H3,(H,36,38)(H,37,39)

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

InChI Key: InChIKey=HVSZXOACCIOJNO-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 201515   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201515
PNG
(US9187424, 282)
Show SMILES CCOP(=O)(CC(=O)NC1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1)OCC
Show InChI InChI=1/C29H33F6N2O6P/c1-4-42-44(40,43-5-2)18-24(38)36-25-23(20-9-7-19(3)8-10-20)17-27(29(33,34)35,37-26(25)39)21-11-13-22(14-12-21)41-16-6-15-28(30,31)32/h7-14H,4-6,15-18H2,1-3H3,(H,36,38)(H,37,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair