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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 = 'BDBM294276'   
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))
BDBM294276
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2C(Cc3ccccc3)C(COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3
PDB
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PC cid
PC sid
UniChem
US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM294276
PNG
(Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman...)
Show SMILES CCCS(=O)(=O)NC1CN(C1)c1cc2C(Cc3ccccc3)C(COc2cc1F)NC
Show InChI InChI=1S/C23H30FN3O3S/c1-3-9-31(28,29)26-17-13-27(14-17)22-11-19-18(10-16-7-5-4-6-8-16)21(25-2)15-30-23(19)12-20(22)24/h4-8,11-12,17-18,21,25-26H,3,9-10,13-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG; AbbVie Inc.

US Patent


Assay Description
1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,0...


US Patent US9586945 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NTN
More data for this
Ligand-Target Pair