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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.6
BDBM309271

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-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM309271
PNG
(Trans-N-[3-(benzyloxy)phenyl]-1-[(1-methyl-1H-imid...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cccc(OCc3ccccc3)c2)[C@@H](C1)[C@@H]1CCCOC1
Show InChI InChI=1S/C26H32N4O4S/c1-29-16-26(27-19-29)35(31,32)30-14-24(21-9-6-12-33-18-21)25(15-30)28-22-10-5-11-23(13-22)34-17-20-7-3-2-4-8-20/h2-5,7-8,10-11,13,16,19,21,24-25,28H,6,9,12,14-15,17-18H2,1H3/t21-,24+,25-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<1.00E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1: Radioligand binding to human GlyT1c transporter-expressing me...


US Patent US9656955 (2017)


BindingDB Entry DOI: 10.7270/Q2Z60R48
More data for this
Ligand-Target Pair