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PubMed code 25147598

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058840
PNG
(CHEMBL3325734)
Show SMILES Cl.CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N3O4S.ClH/c1-29(25,26)24-16(18(19,20)21)13-6-4-12(5-7-13)9-22-10-14-11-27-15-3-2-8-23-17(15)28-14;/h2-8,14,16,22,24H,9-11H2,1H3;1H/t14-,16-;/m0./s1
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058842
PNG
(CHEMBL3325736)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC2CCN(C2)c2ccccc2)cc1
Show InChI InChI=1S/C20H27N3O2S.ClH/c1-16(22-26(2,24)25)18-10-8-17(9-11-18)14-21-19-12-13-23(15-19)20-6-4-3-5-7-20;/h3-11,16,19,21-22H,12-15H2,1-2H3;1H/t16-,19?;/m1./s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058843
PNG
(CHEMBL3325737)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2CO[C@H](CO2)c2ccccc2)cc1
Show InChI InChI=1S/C21H28N2O4S.ClH/c1-16(23-28(2,24)25)18-10-8-17(9-11-18)12-22-13-20-14-27-21(15-26-20)19-6-4-3-5-7-19;/h3-11,16,20-23H,12-15H2,1-2H3;1H/t16-,20-,21-;/m1./s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 294n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2)


(Homo sapiens (Human))
BDBM50058841
PNG
(CHEMBL3325735)
Show SMILES Cl.C[C@@H](NS(C)(=O)=O)c1ccc(CNCC2COc3ccccc3N2)cc1
Show InChI InChI=1S/C19H25N3O3S.ClH/c1-14(22-26(2,23)24)16-9-7-15(8-10-16)11-20-12-17-13-25-19-6-4-3-5-18(19)21-17;/h3-10,14,17,20-22H,11-13H2,1-2H3;1H/t14-,17?;/m1./s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 479n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS...


ACS Med Chem Lett 5: 840-1 (2014)


Article DOI: 10.1021/ml500217g
BindingDB Entry DOI: 10.7270/Q2BZ67QZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%