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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.5
BDBM50328385

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 1


(Homo sapiens (Human))
BDBM50328385
PNG
(CHEMBL1258030 | ethyl 6-(3-ethyl-1,2,4-oxadiazol-5...)
Show SMILES CCCc1c(-c2nc(CC)no2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O4/c1-4-10-20-23(26-28-21(5-2)30-36-26)24(27(33)35-6-3)25-19(18-11-8-7-9-12-18)17-22(29-32(20)25)31-13-15-34-16-14-31/h7-9,11-12,17H,4-6,10,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs


Bioorg Med Chem Lett 20: 6030-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.066
BindingDB Entry DOI: 10.7270/Q2RV0NX1
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50328385
PNG
(CHEMBL1258030 | ethyl 6-(3-ethyl-1,2,4-oxadiazol-5...)
Show SMILES CCCc1c(-c2nc(CC)no2)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O4/c1-4-10-20-23(26-28-21(5-2)30-36-26)24(27(33)35-6-3)25-19(18-11-8-7-9-12-18)17-22(29-32(20)25)31-13-15-34-16-14-31/h7-9,11-12,17H,4-6,10,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length flag-tagged ACAT1 expressed in baculovirus infected insect cells after 10 mins


Bioorg Med Chem Lett 20: 6030-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.066
BindingDB Entry DOI: 10.7270/Q2RV0NX1
More data for this
Ligand-Target Pair