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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.4
BDBM20729
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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))
BDBM20729
PNG
((1S,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...)
Show SMILES OC(=O)[C@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 98n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair