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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.4
BDBM403590

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM403590
PNG
(US10335401, No. I-115)
Show SMILES CS(=O)(=O)CC(=O)NCC1=C(C[C@](NC1=O)(c1ccccc1)C(F)(F)F)c1ccc(cn1)C(F)F |r,t:9|
Show InChI InChI=1S/C22H20F5N3O4S/c1-35(33,34)12-18(31)29-11-16-15(17-8-7-13(10-28-17)19(23)24)9-21(22(25,26)27,30-20(16)32)14-5-3-2-4-6-14/h2-8,10,19H,9,11-12H2,1H3,(H,29,31)(H,30,32)/t21-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2JM2D0H
More data for this
Ligand-Target Pair