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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50143820'   
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))		BDBM50143820
PNG
(CHEMBL3759264)
Show SMILES CCOC[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H42N2O6S/c1-7-36-20-24(17-16-22-12-9-8-10-13-22)31-38(34,35)25-15-11-14-23(19-25)30-27(32)26(18-21(2)3)37-28(33)29(4,5)6/h8-15,19,21,24,26,31H,7,16-18,20H2,1-6H3,(H,30,32)/t24-,26-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair