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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM50117667'   
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))
BDBM50117667
PNG
(CHEMBL3613711)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1
Show InChI InChI=1/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 72n/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))
BDBM50117667
PNG
(CHEMBL3613711)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1
Show InChI InChI=1/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 79n/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))
BDBM50117667
PNG
(CHEMBL3613711)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1
Show InChI InChI=1/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 760n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MGAT3 expressed in HEK293 cells assessed as effect on incorporation of [1,3-14C] glycerol into TAG by TLC method in presence of D...


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))
BDBM50117667
PNG
(CHEMBL3613711)
Show SMILES COc1cccc(CC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2cnn(n2)C2CCCOC2)c1
Show InChI InChI=1/C24H27N5O5S/c1-33-21-6-2-4-17(10-21)11-24(30)28-14-18-7-8-22(12-19(18)15-28)35(31,32)27-23-13-25-29(26-23)20-5-3-9-34-16-20/h2,4,6-8,10,12-13,20H,3,5,9,11,14-16H2,1H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 794n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MGAT3 expressed in HEK293 cells assessed as effect on incorporation of [1,3-14C] glycerol into TAG by TLC method in presence of D...


J Med Chem 58: 7164-72 (2015)


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