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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 580.7
BDBM159681

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM159681
PNG
(US9035059, 10-3/10-4)
Show SMILES CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc3c2)C(C)Cc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C34H45FN2O3S/c1-6-7-8-9-20-40-30-15-17-33(32(35)23-30)36-41(38,39)31-16-12-28-24-37(19-18-27(28)22-31)25(2)21-26-10-13-29(14-11-26)34(3,4)5/h10-17,22-23,25,36H,6-9,18-21,24H2,1-5H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A test for MGAT2 inhibitory action of test compounds was conducted in accordance with a partially modified version of the method described in John F....


US Patent US9035059 (2015)


BindingDB Entry DOI: 10.7270/Q2B856WH
More data for this
Ligand-Target Pair
2-acylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM159681
PNG
(US9035059, 10-3/10-4)
Show SMILES CCCCCCOc1ccc(NS(=O)(=O)c2ccc3CN(CCc3c2)C(C)Cc2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C34H45FN2O3S/c1-6-7-8-9-20-40-30-15-17-33(32(35)23-30)36-41(38,39)31-16-12-28-24-37(19-18-27(28)22-31)25(2)21-26-10-13-29(14-11-26)34(3,4)5/h10-17,22-23,25,36H,6-9,18-21,24H2,1-5H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 39n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
A test for MGAT2 inhibitory action of test compounds was conducted in accordance with a partially modified version of the method described in John F....


US Patent US9035059 (2015)


BindingDB Entry DOI: 10.7270/Q2B856WH
More data for this
Ligand-Target Pair