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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 = 'BDBM50499973'   
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))
BDBM50499973
PNG
(CHEMBL3740607)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nc(Cc2ccccc2)no1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;5.38,-3.22,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.64,-5.7,;4.14,-5.38,)|
Show InChI InChI=1S/C23H23N3O5/c27-21(25-23-24-20(26-31-23)14-15-4-2-1-3-5-15)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)22(28)29/h1-7,10-11,17,19H,8-9,12-14H2,(H,28,29)(H,24,25,26,27)/t17-,19+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair