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SMILES: FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F

InChI Key: InChIKey=ZABFBNAJDMTMSF-VWLOTQADSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 235265   
Target/Host
(Institution)
LigandTarget/Host
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM235265
PNG
(US9365558, 88 | US9822074, 88)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:28|
Show InChI InChI=1S/C27H28F6N4O5S/c28-26(29,30)11-1-13-42-18-6-4-17(5-7-18)25(27(31,32)33)14-20(21-10-12-37(35-21)15-16-2-3-16)22(23(38)34-25)24(39)36-43(40,41)19-8-9-19/h4-7,10,12,16,19H,1-3,8-9,11,13-15H2,(H,34,38)(H,36,39)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...


US Patent US9822074 (2017)


BindingDB Entry DOI: 10.7270/Q2K939TM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM235265
PNG
(US9365558, 88 | US9822074, 88)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:28|
Show InChI InChI=1S/C27H28F6N4O5S/c28-26(29,30)11-1-13-42-18-6-4-17(5-7-18)25(27(31,32)33)14-20(21-10-12-37(35-21)15-16-2-3-16)22(23(38)34-25)24(39)36-43(40,41)19-8-9-19/h4-7,10,12,16,19H,1-3,8-9,11,13-15H2,(H,34,38)(H,36,39)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/a7.465



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)


BindingDB Entry DOI: 10.7270/Q2XS5T8B
More data for this
Ligand-Target Pair