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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50020069'   
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


(Mus musculus (mouse))
BDBM50020069
PNG
(CHEMBL3287869)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Cc1ccccc1 |r,wU:7.10,wD:4.3,(22.61,-2.81,;21.3,-3.62,;21.35,-5.16,;19.94,-2.9,;18.64,-3.71,;17.28,-2.99,;15.97,-3.81,;16.02,-5.34,;17.38,-6.07,;18.69,-5.25,;14.72,-6.16,;13.35,-5.43,;12.05,-6.24,;12.1,-7.78,;13.46,-8.51,;14.76,-7.7,;10.79,-8.6,;10.85,-10.14,;9.54,-10.95,;8.18,-10.23,;6.86,-11.05,;5.5,-10.31,;5.46,-8.76,;6.78,-7.95,;8.13,-8.69,;9.44,-7.87,;6.91,-12.58,;8.26,-13.31,;5.6,-13.39,;5.65,-14.92,;4.34,-15.71,;4.39,-17.25,;5.74,-17.98,;7.05,-17.16,;6.99,-15.63,)|
Show InChI InChI=1S/C30H31NO4/c32-29(18-21-4-2-1-3-5-21)31-16-17-35-28-20-26(14-15-27(28)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)19-30(33)34/h1-5,10-15,20,22-23H,6-9,16-19H2,(H,33,34)/t22-,23-
PDB

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PC cid
PC sid
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Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50020069
PNG
(CHEMBL3287869)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Cc1ccccc1 |r,wU:7.10,wD:4.3,(22.61,-2.81,;21.3,-3.62,;21.35,-5.16,;19.94,-2.9,;18.64,-3.71,;17.28,-2.99,;15.97,-3.81,;16.02,-5.34,;17.38,-6.07,;18.69,-5.25,;14.72,-6.16,;13.35,-5.43,;12.05,-6.24,;12.1,-7.78,;13.46,-8.51,;14.76,-7.7,;10.79,-8.6,;10.85,-10.14,;9.54,-10.95,;8.18,-10.23,;6.86,-11.05,;5.5,-10.31,;5.46,-8.76,;6.78,-7.95,;8.13,-8.69,;9.44,-7.87,;6.91,-12.58,;8.26,-13.31,;5.6,-13.39,;5.65,-14.92,;4.34,-15.71,;4.39,-17.25,;5.74,-17.98,;7.05,-17.16,;6.99,-15.63,)|
Show InChI InChI=1S/C30H31NO4/c32-29(18-21-4-2-1-3-5-21)31-16-17-35-28-20-26(14-15-27(28)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)19-30(33)34/h1-5,10-15,20,22-23H,6-9,16-19H2,(H,33,34)/t22-,23-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair