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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.4
BDBM308729

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))
BDBM308729
PNG
(Trans-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N4O3S/c1-29-12-20(27-13-29)34(32,33)30-10-18(14-2-6-16(23)7-3-14)19(11-30)21(31)28-17-8-4-15(5-9-17)22(24,25)26/h2-9,12-13,18-19H,10-11H2,1H3,(H,28,31)/t18-,19+/m0/s1
PDB
MMDB

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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