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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM395377

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 1


(Homo sapiens (Human))
BDBM395377
PNG
(US10308636, Example 109)
Show SMILES CCCc1n[nH]c(n1)-c1ccc(cc1)-c1ccc(OCC(C)(C)C(=O)OC)nc1
Show InChI InChI=1S/C22H26N4O3/c1-5-6-18-24-20(26-25-18)16-9-7-15(8-10-16)17-11-12-19(23-13-17)29-14-22(2,3)21(27)28-4/h7-13H,5-6,14H2,1-4H3,(H,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Wyeth Research



Assay Description
As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were...


Bioorg Med Chem Lett 19: 3485-8 (2009)


BindingDB Entry DOI: 10.7270/Q28S4S76
More data for this
Ligand-Target Pair