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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 613.6
BDBM435342

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

Found 1 hit 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))
BDBM435342
PNG
((trans)-N-((2-(2-(4,4-dimethyloxazolidin- 3-yl)-2-...)
Show SMILES Cc1noc(n1)[C@@H]1CC1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(CC(=O)N3COCC3(C)C)Cc12 |r|
Show InChI InChI=1S/C31H34F3N5O5/c1-18-36-29(44-37-18)25-12-24(25)28(41)35-13-20-7-8-22(19-5-4-6-21(11-19)43-31(32,33)34)23-9-10-38(14-26(20)23)15-27(40)39-17-42-16-30(39,2)3/h4-8,11,24-25H,9-10,12-17H2,1-3H3,(H,35,41)/t24?,25-/m1/s1
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep m...


US Patent US10568876 (2020)


BindingDB Entry DOI: 10.7270/Q22B91FB
More data for this
Ligand-Target Pair