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BDBM235217 US9365558, 40

InChI string: InChI=1/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/s2

SMILES: CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F

InChI Key: InChIKey=BCXYDHWBBMMGII-CYLJNIGPNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235217   
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))
BDBM235217
PNG
(US9365558, 40)
Show SMILES CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/s2
UniProtKB/SwissProt

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US Patent
n/an/a 2n/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 μL of 50 mM Potassium Phosph...


US Patent US9365558 (2016)

More data for this
Ligand-Target Pair