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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.4
BDBM308666

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))
BDBM308666
PNG
(N-{trans-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cccc(n2)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N5O2S/c1-28-11-19(25-12-28)32(30,31)29-9-15(13-5-7-14(21)8-6-13)16(10-29)26-18-4-2-3-17(27-18)20(22,23)24/h2-8,11-12,15-16H,9-10H2,1H3,(H,26,27)/t15-,16+/m0/s1
PDB
MMDB

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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