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BDBM201314 US9187424, 144::US9187424, 78

SMILES: FC(F)Oc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F

InChI Key: InChIKey=WEZDTOOCZWOCMC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 201314   
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))
BDBM201314
PNG
(US9187424, 144 | US9187424, 78)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C24H18F8N2O3/c25-21(26)37-17-6-2-14(3-7-17)18-12-22(24(30,31)32,34-20(35)19(18)13-33)15-4-8-16(9-5-15)36-11-1-10-23(27,28)29/h2-9,21H,1,10-12H2,(H,34,35)
PDB

UniProtKB/SwissProt

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


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))
BDBM201314
PNG
(US9187424, 144 | US9187424, 78)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C24H18F8N2O3/c25-21(26)37-17-6-2-14(3-7-17)18-12-22(24(30,31)32,34-20(35)19(18)13-33)15-4-8-16(9-5-15)36-11-1-10-23(27,28)29/h2-9,21H,1,10-12H2,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 175n/an/an/an/a7.425



Bristol-Myers Squibb Company

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))
BDBM201314
PNG
(US9187424, 144 | US9187424, 78)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C24H18F8N2O3/c25-21(26)37-17-6-2-14(3-7-17)18-12-22(24(30,31)32,34-20(35)19(18)13-33)15-4-8-16(9-5-15)36-11-1-10-23(27,28)29/h2-9,21H,1,10-12H2,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 151n/an/an/an/a7.425



Bristol-Myers Squibb Company

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))
BDBM201314
PNG
(US9187424, 144 | US9187424, 78)
Show SMILES FC(F)Oc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C24H18F8N2O3/c25-21(26)37-17-6-2-14(3-7-17)18-12-22(24(30,31)32,34-20(35)19(18)13-33)15-4-8-16(9-5-15)36-11-1-10-23(27,28)29/h2-9,21H,1,10-12H2,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a7.4n/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)


BindingDB Entry DOI: 10.7270/Q2FQ9VFG
More data for this
Ligand-Target Pair