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BDBM235259 US9365558, 82

InChI string: InChI=1/C28H31F3N2O5S/c1-3-18-5-7-19(8-6-18)23-17-27(2,20-9-11-21(12-10-20)38-16-4-15-28(29,30)31)32-25(34)24(23)26(35)33-39(36,37)22-13-14-22/h5-12,22H,3-4,13-17H2,1-2H3,(H,32,34)(H,33,35)/t27-/s2

SMILES: CCc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C)(C1)c1ccc(OCCCC(F)(F)F)cc1

InChI Key: InChIKey=IHQKKDZBTNHBGA-XUESUEPENA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235259   
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))
BDBM235259
PNG
(US9365558, 82)
Show SMILES CCc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C)(C1)c1ccc(OCCCC(F)(F)F)cc1
Show InChI InChI=1/C28H31F3N2O5S/c1-3-18-5-7-19(8-6-18)23-17-27(2,20-9-11-21(12-10-20)38-16-4-15-28(29,30)31)32-25(34)24(23)26(35)33-39(36,37)22-13-14-22/h5-12,22H,3-4,13-17H2,1-2H3,(H,32,34)(H,33,35)/t27-/s2
UniProtKB/SwissProt

antibodypedia
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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