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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM309278'   
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))
BDBM309278
PNG
((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(c2)-c2ccccn2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C25H25N5O2S/c1-29-17-25(27-18-29)33(31,32)30-15-22(19-8-3-2-4-9-19)24(16-30)28-21-11-7-10-20(14-21)23-12-5-6-13-26-23/h2-14,17-18,22,24,28H,15-16H2,1H3/t22-,24+/m1/s1
PDB
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B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2Z60R48
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM309278
PNG
((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(c2)-c2ccccn2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C25H25N5O2S/c1-29-17-25(27-18-29)33(31,32)30-15-22(19-8-3-2-4-9-19)24(16-30)28-21-11-7-10-20(14-21)23-12-5-6-13-26-23/h2-14,17-18,22,24,28H,15-16H2,1H3/t22-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
<100n/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)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2Z60R48
More data for this
Ligand-Target Pair