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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.5
BDBM323649

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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323649
PNG
((R)-N-(4-amino-2-methyl- 4-oxobutan-2-yl)-2-(3-(2-...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)NC(C)(C)CC(N)=O
Show InChI InChI=1S/C23H31N5O4/c1-4-31-18-9-5-6-10-19(18)32-17-8-7-11-28(15-17)22-25-13-16(14-26-22)21(30)27-23(2,3)12-20(24)29/h5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-3H3,(H2,24,29)(H,27,30)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US9789110 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N81
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM323649
PNG
((R)-N-(4-amino-2-methyl- 4-oxobutan-2-yl)-2-(3-(2-...)
Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)NC(C)(C)CC(N)=O
Show InChI InChI=1S/C23H31N5O4/c1-4-31-18-9-5-6-10-19(18)32-17-8-7-11-28(15-17)22-25-13-16(14-26-22)21(30)27-23(2,3)12-20(24)29/h5-6,9-10,13-14,17H,4,7-8,11-12,15H2,1-3H3,(H2,24,29)(H,27,30)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 14 o...


US Patent US10188653 (2019)


BindingDB Entry DOI: 10.7270/Q28G8NS4
More data for this
Ligand-Target Pair