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SMILES: COc1ccc(cn1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCCC(F)(F)F)cc1)C(F)(F)F

InChI Key: InChIKey=XPULXCSILFZAAY-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 253641   
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))		BDBM253641
PNG
(US9701672, 70)
Show SMILES COc1ccc(cn1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
Show InChI InChI=1S/C24H21F6N3O3/c1-35-20-9-4-15(14-32-20)18-12-22(24(28,29)30,33-21(34)19(18)13-31)16-5-7-17(8-6-16)36-11-3-2-10-23(25,26)27/h4-9,14H,2-3,10-12H2,1H3,(H,33,34)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32.3n/an/an/an/a7.4n/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 US9701672 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1MXW
More data for this
Ligand-Target Pair