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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM50117660'   
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
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117660
PNG
(CHEMBL3613704)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)N(C)CCc2cccc(F)c2)c1
Show InChI InChI=1S/C26H27FN2O4S/c1-28(12-11-19-5-3-7-23(27)13-19)34(31,32)25-10-9-21-17-29(18-22(21)16-25)26(30)15-20-6-4-8-24(14-20)33-2/h3-10,13-14,16H,11-12,15,17-18H2,1-2H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50117660
PNG
(CHEMBL3613704)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)N(C)CCc2cccc(F)c2)c1
Show InChI InChI=1S/C26H27FN2O4S/c1-28(12-11-19-5-3-7-23(27)13-19)34(31,32)25-10-9-21-17-29(18-22(21)16-25)26(30)15-20-6-4-8-24(14-20)33-2/h3-10,13-14,16H,11-12,15,17-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.74E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,...


J Med Chem 58: 7164-72 (2015)


BindingDB Entry DOI: 10.7270/Q2F191HJ
More data for this
Ligand-Target Pair