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SMILES: Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cc(ccn2)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1

InChI Key: InChIKey=XGRLAWUVJPITTM-DLBZAZTESA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 308773   
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-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM308773
PNG
(N-{trans-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cc(ccn2)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-15(21)5-3-13)17(10-29)27-18-8-14(6-7-25-18)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)/t16-,17+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
<10n/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